Josef Paldus
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Canadian chemist
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Josef Palduschemistry Degrees
Chemistry
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Chemistry Physics
Josef Paldus's Degrees
- PhD Chemistry University of California, Berkeley
Why Is Josef Paldus Influential?
(Suggest an Edit or Addition)According to Wikipedia, Josef Paldus, was a Distinguished Professor Emeritus of Applied Mathematics at the University of Waterloo, Ontario, Canada. Josef Paldus became associate professor at the University of Waterloo after emigration to Canada from Czechoslovakia in 1968. In 1975 he was promoted to full professor at this university, and he retired in 2001.
Josef Paldus's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B H 3 Molecule (1972) (650)
- Stability Conditions for the Solutions of the Hartree—Fock Equations for Atomic and Molecular Systems. Application to the Pi‐Electron Model of Cyclic Polyenes (1967) (477)
- Correlation problems in atomic and molecular systems III. Rederivation of the coupled-pair many-electron theory using the traditional quantum chemical methodst†‡§ (1971) (439)
- Time-Independent Diagrammatic Approach to Perturbation Theory of Fermion Systems (1975) (405)
- Group theoretical approach to the configuration interaction and perturbation theory calculations for atomic and molecular systems (1974) (397)
- A Critical Assessment of Coupled Cluster Method in Quantum Chemistry (2007) (370)
- Applicability of coupled‐pair theories to quasidegenerate electronic states: A model study (1980) (250)
- Reduced multireference CCSD method: An effective approach to quasidegenerate states (1997) (241)
- Spin‐adapted multireference coupled‐cluster approach: Linear approximation for two closed‐shell‐type reference configurations (1988) (211)
- Correlation problems in atomic and molecular systems. V. Spin‐adapted coupled cluster many‐electron theory (1977) (201)
- Valence universal exponential ansatz and the cluster structure of multireference configuration interaction wave function (1989) (194)
- Approximate account of the connected quadruply excited clusters in the coupled-pair many-electron theory (1984) (171)
- Stability Conditions for the Solutions of the Hartree–Fock Equations for Atomic and Molecular Systems. II. Simple Open‐Shell Case (1970) (163)
- Coupled Cluster Theory (1992) (153)
- Reduced multireference couple cluster method. II. Application to potential energy surfaces of HF, F2, and H2O (1998) (149)
- Automation of the implementation of spin‐adapted open‐shell coupled‐cluster theories relying on the unitary group formalism (1994) (144)
- Coupled Cluster Approach (1980) (132)
- General-model-space state-universal coupled-cluster theory: Connectivity conditions and explicit equations (2003) (130)
- Stability Conditions for the Solutions of the Hartree-Fock Equations for Atomic and Molecular Systems. VI. Singlet-Type Instabilities and Charge-Density-Wave Hartree-Fock Solutions for Cyclic Polyenes (1970) (126)
- Clifford algebra and unitary group formulations of the many-electron problem (1988) (116)
- Time-dependent coupled cluster approach: Excitation energy calculation using an orthogonally spin-adapted formalism (1986) (113)
- THE 4 550 Å BAND SYSTEM OF GLYOXAL: I. ROTATIONAL ANALYSES OF THE (0–0) BANDS FOR C2H2O2, C2HDO2, AND C2D2O2 (1967) (109)
- Cluster expansion analysis for delocalized systems (1969) (109)
- Unitary Group Approach to the Many-Electron Correlation Problem via Graphical Methods of Spin Algebras (1980) (108)
- Recent Progress in Coupled Cluster Methods (2010) (107)
- Coupled cluster approach or quadratic configuration interaction (1989) (107)
- Orthogonally spin‐adapted state‐universal coupled‐cluster formalism: Implementation of the complete two‐reference theory including cubic and quartic coupling terms (1994) (106)
- Orthogonally spin-adapted coupled-cluster equations involving singly and doubly excited clusters. Comparison of different procedures for spin-adaptation (1989) (101)
- Orthogonally spin-adapted multi-reference Hilbert space coupled-cluster formalism: diagrammatic formulation (1992) (99)
- Correlation problems in atomic and molecular systems. VI. Coupled-cluster approach to open-shell systems (1978) (98)
- Doublet stability of ab initio SCF solutions for the allyl radical (1978) (98)
- Coupled cluster approaches with an approximate account of triexcitations and the optimized inner projection technique (1990) (96)
- Simultaneous handling of dynamical and nondynamical correlation via reduced multireference coupled cluster method: Geometry and harmonic force field of ozone (1999) (94)
- Vectorizable approach to molecular CI problems using determinantal basis (1989) (90)
- Unitary-group approach to the many-electron correlation problem: Relation of Gelfand and Weyl tableau formulations (1976) (90)
- Reduced multireference coupled cluster method: Ro-vibrational spectra of N2 (2000) (88)
- Stability Conditions for the Solutions of the Hartree–Fock Equations for Atomic and Molecular Systems. III. Rules for the Singlet Stability of Hartree–Fock Solutions of π‐Electronic Systems (1970) (87)
- Orthogonally-spin-adapted coupled-cluster theory for closed-shell systems including triexcited clusters (1979) (86)
- DISSOCIATION OF N2 TRIPLE BOND : A REDUCED MULTIREFERENCE CCSD STUDY (1998) (86)
- Application of graphical methods of spin algebras to limited CI approaches. I. Closed shell case (1977) (86)
- Stability Conditions for the Solutions of the Hartree–Fock Equations for Atomic and Molecular Systems. IV. A Study of Doublet Stability for Odd Linear Polyenic Radicals (1971) (84)
- Externally corrected singles and doubles coupled cluster methods for open-shell systems (1997) (81)
- Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods. (2008) (81)
- The general-model-space state-universal coupled-cluster method exemplified by the LiH molecule (2003) (81)
- Green's function approach to the direct perturbation calculation of the excitation energies of closed shell fermion systems (1974) (80)
- Correlation effects in the low–lying excited states of the PPP models of alternant hydrocarbons. I. Qualitative rules for the effect of limited configuration interaction (1974) (79)
- Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples. (2006) (78)
- An algebraic approach to bound states of simple one‐electron systems (1977) (76)
- Clifford algebra unitary group approach to many‐electron correlation problem (1985) (74)
- Molecular quadrupole moment functions of HF and N2. I. Ab initio linear‐response coupled‐cluster results (1996) (73)
- Energy versus amplitude corrected coupled-cluster approaches. II. Breaking the triple bond (2001) (71)
- Coupled-cluster approach to electron correlation in one dimension. II. Cyclic polyene model in localized basis (1984) (70)
- Correlation problems in atomic and molecular systems. VII. Application of the open‐shell coupled‐cluster approach to simple π‐electron model systems (1979) (70)
- Algebraic Approach to Coupled Cluster Theory (1994) (70)
- Bond length alternation in cyclic polyenes. I. Restricted Hartree–Fock method (1983) (68)
- Recent progress in coupled cluster methods : theory and applications (2010) (66)
- Full potential energy curve for N2 by the reduced multireference coupled-cluster method. (2008) (66)
- Coupled-pair theories and Davidson-type corrections for quasidegenerate states: the H4 model revisited (1988) (66)
- Coupled-Cluster Methods for Molecular Calculations (1984) (65)
- Performance of the general-model-space state-universal coupled-cluster method. (2004) (65)
- Relationship between configuration interaction and coupled cluster approaches (1982) (65)
- N-reference, M-state coupled-cluster method: Merging the state-universal and reduced multireference coupled-cluster theories (2003) (65)
- Cluster analysis of the full configuration interaction wave functions of cyclic polyene models (1982) (64)
- Reduced multireference coupled cluster method IV: open-shell systems (2000) (64)
- Unitary group approach to spin‐adapted open‐shell coupled cluster theory (1995) (64)
- Applicability of valence-universal multireference coupled-cluster theories to quasidegenerate electronic states. I. Models involving at most two-body amplitudes (1992) (61)
- Stability conditions for the solutions of the Hartree-Fock equations for the simple open-shell case (1969) (59)
- Polarized basis sets of Slater‐type orbitals: H to Ne atoms (2003) (59)
- Lie Algebraic Methods and Their Applications to Simple Quantum Systems (1988) (58)
- General-model-space state-universal coupled-cluster methods for excited states: diagonal noniterative triple corrections. (2006) (57)
- APPLICABILITY OF MULTI-REFERENCE MANY-BODY PERTURBATION THEORY TO THE DETERMINATION OF POTENTIAL ENERGY SURFACES : A MODEL STUDY (1990) (57)
- Stability of Hartree–Fock solutions and symmetry breaking in the independent particle model: Ab initio case study of the LCAO–MO–SCF solutions for finite chains of hydrogen atoms (1980) (56)
- Symmetry Breaking in the Independent Particle Model (2003) (56)
- Single‐reference CCSD approach employing three‐ and four‐body CAS SCF corrections: A preliminary study of a simple model (1997) (55)
- Coupled-cluster approaches with an approximate account of triexcitations and the optimized-inner-projection technique. II. Coupled-cluster results for cyclic-polyene model systems (1990) (54)
- Cluster relations for multireference coupled‐cluster theories: A model study (1991) (54)
- Method of moments approach and coupled cluster theory (1991) (52)
- Applicability of non‐degenerate many‐body perturbation theory to quasidegenerate electronic states: A model study (1983) (52)
- Correlation and Localization (1999) (51)
- Coupled Cluster Approaches to Many-Electron Correlation Problem (1983) (50)
- Energy versus amplitude corrected coupled-cluster approaches. I (2001) (49)
- Conjugate gradient method for the solution of linear equations: Application to molecular electronic structure calculations (1982) (48)
- Orthogonally spin‐adapted single‐reference coupled‐cluster formalism: Linear response calculation of static properties (1995) (47)
- Multi-reference Brillouin–Wigner coupled-cluster method with a general model space (2005) (47)
- STABILITY CONDITIONS FOR THE SOLUTIONS OF THE HARTREE--FOCK EQUATIONS FOR ATOMIC AND MOLECULAR SYSTEMS. V. THE NONANALYTIC BEHAVIOR OF THE BROKEN-SYMMETRY SOLUTIONS AT THE BRANCHING POINT. (1971) (46)
- Analysis of the multireference state-universal coupled-cluster Ansatz (2003) (46)
- Alternancy symmetry: A unified viewpoint (1985) (45)
- Approximate account of connected quadruply excited clusters in multi-reference Hilbert space coupled-cluster theory. Application to planar H4 models (1993) (45)
- Coupled‐Cluster approaches with an approximate account of triply and quadruply excited clusters: Implementation of the orthogonally spin‐adapted CCD + ST(CCD), CCSD + T(CCSD), and ACPQ + ST(ACPQ) formalisms (1995) (44)
- Symmetry-adapted coupled-pair approach to the many-electron correlation problem. II. Application to the Be atom (1981) (44)
- Computer generation of Feynman diagrams for perturbation theory I. General algorithm (1973) (44)
- Singlet-Triplet Splitting in Methylene: An Accurate Description of Dynamic and Nondynamic Correlation by Reduced Multireference Coupled Cluster Method (1998) (43)
- Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods. (2009) (43)
- Spin-Adapted Multi-Reference Coupled Cluster Formalism Including Non-Linear Terms and its Application to the H4 Model System (1989) (43)
- Quantum chemical study of transannular interaction. I. Model of (n,n) paracyclophanes not consideing the benzene rings distortion (1962) (43)
- Calculation of p‐Band Positions of Aromatic Polycyclic Hydrocarbons by Limited Configuration Interaction Method (1962) (43)
- Symmetry-adapted coupled-pair approach to the many-electron correlation problem. III. Approximate coupled-pair approaches for the Be atom (1981) (42)
- Applicability of nondegenerate many-body perturbation theory to quasi-degenerate electronic states. II. A two-state model (1985) (42)
- Truncated version of the reduced multireference coupled‐cluster method with perturbation selection of higher than pair clusters (2000) (41)
- An accurate determination of rovibrational spectra using the externally corrected coupled-cluster approaches: LiH ground state (2003) (41)
- A study of 1A1-3B1 separation in CH2 using orthogonally spin-adapted state-universal and state-specific coupled-cluster methods (1994) (41)
- Stability Conditions for Maximum-Overlap (Brueckner) Independent-Particle Wave Functions (1973) (41)
- Bender-Wu Formula, the SO(4,2) Dynamical Group, and the Zeeman Effect in Hydrogen (1979) (41)
- Spin‐dependent unitary group approach. I. General formalism (1990) (40)
- Configuration interaction matrix elements. I. Algebraic approach to the relationship between unitary group generators and permutations (1979) (40)
- Bond length alternation in cyclic polyenes. VI. Coupled cluster approach with wannier orbital basis (1985) (39)
- A truncated version of reduced multireference coupled-cluster method with singles and doubles and noniterative triples: application to F2 and Ni(CO)n (n=1, 2, and 4). (2006) (39)
- Comparison of the open‐shell state‐universal and state‐selective coupled‐cluster theories: H4 and H8 models (1995) (39)
- Spin‐adapted open‐shell state‐selective coupled cluster approach and doublet stability of its Hartree–Fock reference (1995) (38)
- Particle-hole formulation of the unitary group approach to the many-electron correlation problem. I. State construction and classification (1980) (37)
- Size extensivity of a general-model-space state-universal coupled-cluster method (2004) (37)
- Multireference general-model-space state-universal and state-specific coupled-cluster approaches to excited states. (2010) (37)
- Energy- versus amplitude-corrected coupled-cluster approaches. III. Accurate computation of spectroscopic data exemplified on the HF molecule (2002) (36)
- Real or artifactual symmetry breaking in the BNB radical: a multireference coupled cluster viewpoint. (2007) (36)
- Externally corrected singles and doubles coupled cluster methods for open-shell systems. II. Applications to the low lying doublet states of OH, NH2, CH3 and CN radicals (1998) (36)
- Property Evaluation Using the Two-Reference State-Universal Coupled-Cluster Method (1995) (36)
- Degeneracy and coupled-cluster approaches (1984) (35)
- Valence bond approach to the pariser-parr-pople hamiltonian and its application to simple π-electron systems (1991) (34)
- Bond length alternation in cyclic polyenes. V: Local finite-order perturbation theory approach (1984) (34)
- Representation theory of so(4,2) for the perturbation treatment of hydrogenic‐type hamiltonians by algebraic methods (1982) (34)
- Hartree–Fock stability and symmetry breaking: oxygen doubly negative ion (1985) (33)
- Perturbation theory and electron correlation in extended systems: Cyclic polyene model (1983) (33)
- Electron correlation in one dimension: Coupled cluster approaches to cyclic polyene π-electron models (1992) (33)
- On the solution of coupled-cluster equations in the fully correlated limit of cyclic polyene model (1991) (32)
- Particle-hole formulation of the unitary group approach to the many-electron correlation problem. II. Matrix element evaluation (1980) (32)
- Unitary group based state‐selective coupled‐cluster method: Comparison of the first order interacting space and the full single and double excitation space approximations (1995) (32)
- Singlet–triplet separation in BN and C2: Simple yet exceptional systems for advanced correlated methods (2006) (32)
- An ab initio determination of 1A1-3B1 energy gap in CH2 using orthogonally spin-adapted state-universal and state-specific coupled-cluster methods (1994) (31)
- Valence bond corrected single reference coupled cluster approach (1994) (31)
- Multireference Coupled-Cluster Methods: Recent Developments (2010) (30)
- A Comment on the Paper by Hideo Fukutome: Spin Density Wave and Charge Transfer Wave in Long Conjugated Molecules†) (1969) (30)
- A unitary group based open‐shell coupled cluster study of vibrational frequencies in ground and excited states of first row diatomics (1996) (30)
- Computer generation of Feynman diagrams for perturbation theory. II. Program description (1984) (29)
- Study of the correlation effects in a three‐electron model system using the projected Hartree‐Fock method and the natural spin orbital formalism (1973) (29)
- Perturbatively selected CI as an optimal source for externally corrected CCSD (1999) (28)
- Valence bond approach exploiting Clifford algebra realization of Rumer-Weyl basis (1992) (28)
- Coupled cluster approach or quadratic–configuration interaction?: Reply to comment by Pople, Head‐Gordon, and Raghavachari (1990) (28)
- Model space incompleteness in multireference state-universal and state-selective coupled-cluster theories (2010) (28)
- Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. II. Applications and performance. (2008) (28)
- A remark on doublet stability of allyl radical restricted SCF solutions (1977) (27)
- Clifford algebra realization of Rumer-Weyl basis (1989) (27)
- Application of graphical methods of spin algebras to limited CI approaches. II. A simple open shell case (1977) (27)
- Electron Correlation in Small Molecules: Grafting CI onto CC (1999) (27)
- Spin properties of radicaloid alternant hydrocarbons. Exact solutions for representative Pariser–Parr–Pople model systems (1984) (27)
- Quasi-degeneracy and coupled-pair theories (1979) (27)
- General-model-space state-universal coupled-cluster method: excitation energies of water (2006) (27)
- Multiconfigurational spin-adapted single-reference coupled cluster formalism (1993) (26)
- General-Model-Space State–Universal Coupled-Cluster Method: Diagrammatic Approach (2004) (26)
- Unitary group approach to reduced density matrices (1990) (25)
- A multireference coupled-cluster study of electronic excitations in furan and pyrrole. (2010) (25)
- Multi-reference state-universal coupled-cluster approaches to electronically excited states. (2011) (25)
- Full configuration interaction for the π-electronic model of benzene. II. Correlation energy and low lying singlet excitation energies (1971) (25)
- Unitary group based state specific open-shell-singlet coupled-cluster method: Application to ozone and comparison with Hilbert and Fock space theories (1995) (25)
- Unitary Group Approach to the Many-Electron Correlation Problem (1977) (24)
- Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. I. Formalism and mutual relationship. (2008) (24)
- On the significance of quadruply excited clusters in coupled-cluster calculations for the low-lying states of BN and C2 (2008) (24)
- Symmetry-adapted coupled-pair approach to the many-electron correlation problem. I.LS-adapted theory for closed-shell atoms (1981) (23)
- Convergence of the Rayleigh‐Schrödinger perturbation expansions for the energy levels of the Pariser‐Parr‐Pople model of the benzene molecule (1974) (23)
- Binding in transition metal complexes: Reduced multireference coupled-cluster study of the MCH2+ (M=Sc to Cu) compounds. (2007) (23)
- Calculation of permutation matrices using graphical methods of spin algebras: Explicit expressions for the Serber-coupling case (1978) (23)
- Unitary group based open‐shell coupled cluster approach and triplet and open‐shell singlet stabilities of Hartree–Fock references (1995) (23)
- Bond length alternation in cyclic polyenes. III. Alternant molecular orbital method (1983) (23)
- Externally and internally corrected coupled cluster approaches: an overview (2017) (23)
- Full configuration interaction for the π-electronic model of benzene. I. General expressions for singlets (1971) (22)
- Unitary group approach to general system partitioning. I. Calculation of U(n = n1 + n2): U(n1) × u(n2) reduced matrix elements and reduced wigner coefficients (1986) (22)
- Origin of Hund's multiplicity rule in quasi-two-dimensional two-electron quantum dots (2010) (22)
- Valence bond corrected single reference coupled cluster approach (1994) (22)
- Many-Electron Correlation Problem. A Group Theoretical Approach (1976) (21)
- A pattern calculus for the unitary group approach to the electronic correlation problem (2009) (21)
- Angular Momentum Diagrams (2006) (21)
- Spinor group and its restrictions (1985) (21)
- Can We Avoid the Intruder-State Problems in the State-Universal Coupled-Cluster Approaches While Preserving Size Extensivity? (2004) (21)
- Valence bond corrected single reference coupled cluster approach (1994) (21)
- Direct iterative solution of the generalized Bloch equation. IV. Application to H2, LiH, BeH, and CH2 (2000) (21)
- Quantum chemical studies on transannular interaction (1963) (21)
- Configuration interaction matrix elements. III. Spin functions relating the unitary and symmetric group approaches (1980) (20)
- Force field of para- and metabenzyne diradicals: a multireference coupled-cluster study. (2010) (20)
- Externally Corrected Coupled-Cluster Approaches: Energy versus Amplitude Corrected CCSD (2003) (19)
- Quantum chemical study of transannular interaction. II. Interaction of two double bonds in the molecules of germacrol and bicyclo[1,2,2]heptadiene-(2,5) and interaction of three double bonds in the molecule of barrelene (1962) (19)
- Do independent-particle-model broken-symmetry solutions contain more physics than the symmetry-adapted ones? The case of homonuclear diatomics. (2009) (18)
- Unitary Group Approach to Valence Bond and Coupled Cluster Methods (1993) (18)
- Generalized Hückel treatment of a simple model of transannular interaction and excimer formation (1966) (18)
- Diagrammatical Method for Geminals. I. Theory (1972) (18)
- The Energy Level Structure of Low-dimensional Multi-electron Quantum Dots (2009) (18)
- Multidimensional interpolation by polynomial roots (1979) (18)
- Molecular quadrupole moment functions of HF and N2. II. Rovibrational effects (1996) (18)
- MOLECULAR QUADRUPOLE MOMENT FUNCTION OF AMMONIA (1996) (18)
- Unitary group tensor operator algebras for many-electron systems: I. Clebsch-Gordan and Racah coefficients (1990) (18)
- Calculation of static molecular properties in the framework of the unitary group based coupled cluster approach (1996) (17)
- Asymptotic behavior of the ground-state-energy expansion for H/sub 2/ /sup +/ in terms of internuclear separation (1980) (17)
- Direct iterative solution of the generalized Bloch equation. II. A general formalism for many-electron systems (2000) (17)
- Behavior of coupled cluster energy in the strongly correlated limit of the cyclic polyene model. Comparison with the exact results (1992) (17)
- Reciprocal adjustment of approximate coupled cluster and configuration interaction approaches (2000) (17)
- REDUCED MULTIREFERENCE COUPLED-CLUSTER METHOD AND ITS APPLICATION TO THE PYRIDYNE DIRADICALS (2008) (17)
- Comment on the Paper by Harris and Falicov (1970) (17)
- CCSD(T) calculations of confined systems: in-crystal polarizabilities of F⁻, Cl⁻, O²⁻, and S²⁻. (2014) (16)
- Unitary group tensor operator algebras for many-electron systems: II. One- and two-body matrix elements (1993) (16)
- Vibrational dependence of the dipole moment and radiative transition probabilities in the X1Sigma + state of HF: a linear-response coupled-cluster study (1998) (16)
- Origin of the first Hund rule and the structure of Fermi holes in two-dimensional He-like atoms and two-electron quantum dots (2012) (16)
- PPP-VB Theory of π-Electron Systems: Electron Delocalization, Molecular Symmetry, and Resonance (1991) (16)
- 1/R expansion for H/sub 2//sup +/: Analyticity, summability, asymptotics, and calculation of exponentially small terms (1984) (16)
- Explicit representation of Gel'fand–Tsetlin states in clifford algebra unitary group approach (1989) (15)
- Estimates of the structure and dimerization energy of polyacetylene from ab initio calculations on finite polyenes (1997) (15)
- Generalized dirac identities and explicit relations between the permutational symmetry and the spin operators for systems of identical particles (1985) (15)
- Perturbation Theory for Low-Spin Open-Shell States 1 1 This paper is dedicated to Prof. Dr. G.H.F. D (1997) (15)
- Numerical estimates of the convergence of the Rayleigh‐Schrödinger perturbation expansions for the energy levels of various models of the benzene molecule (1982) (15)
- Convergence radii of the perturbation expansions for the ground‐state energies of finite Hubbard models (1988) (15)
- Symmetry breaking in spin-restricted Hartree-Fock solutions: the case of the C2 molecule and the N(2)+ and F(2)+ cations. (2009) (15)
- Energetics of naphthynes — Performance of reduced multi-reference coupled-cluster methods for diradicals (2009) (15)
- The beginnings of coupled-cluster theory: An eyewitness account (2005) (14)
- Relationship between SN and U(n) isoscalar factors and higher‐order U(n) invariants (1990) (14)
- Reduced multireference coupled-cluster method: barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions. (2007) (14)
- Extension of Coupled Cluster Methodology to Open Shells: State Universal Approach (1992) (14)
- Correlation effects in the PPP model of alternant π‐electronic systems: two‐point Padé approximant approach (1975) (14)
- The convergence of energy expansions for molecules in electrostatic fields: A linear‐response coupled‐cluster study (1997) (13)
- Parastatistics and the Clifford algebra unitary group approach to the many‐electron correlation problem (1987) (13)
- Bender-Wu formulas for degenerate eigenvalues (1980) (13)
- Coupled‐cluster approach to spontaneous symmetry breaking in molecules: The linear N3 radical (2008) (13)
- UNITARY GROUP BASED COUPLED CLUSTER METHODS AND CALCULATION OF MOLECULAR PROPERTIES (1997) (13)
- The Use of Algebraic Methods in Perturbation Theory (1980) (13)
- Hartree–Fock instabilities in the trisulphur–trinitride anion (1985) (13)
- Simultaneous Account of Dynamic and Nondynamic Correlations Based on Complementarity of CI and CC Approaches (2002) (13)
- Direct iterative solution of the generalized Bloch equation. III. Application to H2-cluster models (2000) (13)
- Multireference coupled‐cluster methods for ground and low‐lying excited states. A benchmark illustration on CH + potentials (2010) (13)
- Effect of spin contamination on the prediction of barrier heights by coupled‐cluster theory: F+H2→HF+H reaction (2000) (12)
- Diagrammatical Method for Geminals. II. Applications (1972) (12)
- Point group symmetry adaptation in clifford algebra unitary group approach (1987) (11)
- Unitary group based open-shell coupled cluster method with corrections for connected triexcited clusters. II. Applications (1998) (11)
- Instabilities of Hartree-Fock solutions for cyclic six-centre 10π heteronuclear networks (1986) (11)
- The relationship between the unrestricted and projected Hartree–Fock methods in a simple three‐electron model system (1978) (11)
- Erratum: Applicability of valence‐universal multireference coupled‐cluster theories to quasidegenerate electronic states. I. Models involving at most two‐body amplitudes [J. Chem. Phys. 97, 7600 (1992)] (1994) (11)
- Diagonal perturbative triple corrections to the general‐model‐space state‐universal coupled‐cluster method: Are they warranted and useful? (2006) (11)
- Computation of ionization potentials using the unitary group based open-shell coupled-cluster theory (1994) (11)
- Extended Hückel method: Calculation of the ethylene force field (1968) (11)
- SIZE DEPENDENCE OF THE X1AG- 11BU EXCITATION ENERGY IN LINEAR POLYENES (1999) (10)
- An ab initio model calculation of the π and σ electronic structure of the ethylene molecule (1966) (10)
- Perturbation expansion of the ground‐state energy for the one‐dimensional cyclic Hubbard system in the Hückel limit (1995) (10)
- Lie algebraic approach to the many-electron correlation problem (1988) (9)
- Approximate Coupled Cluster Methods: Combined Reduced Multireference and Almost–Linear Coupled Cluster Methods with Singles and Doubles 1 (1999) (9)
- Matrix elements of unitary group generators in many-fermion correlation problem. I. tensorial approaches (2020) (9)
- Hartree-fock stability and broken symmetry solutions of O2- and S2-anions in external confinement (2007) (9)
- Bond-length alternation and vibrational spectra of polyacetylene (1984) (9)
- Origin of Hund’s multiplicity rule in singly excited helium: existence of a conjugate Fermi hole in the lower spin state (2011) (9)
- Symmetry breaking in spin‐restricted, open‐shell Hartree–Fock wave functions (2009) (9)
- QCI and related CC approaches: a retrospection (2010) (8)
- Group Theoretical Approaches to Many-Electron Correlation Problem (1986) (8)
- Calculation of the positions of the α- and β-bands in the electronic spectra of benzenoid hydrocarbons using the method of limited configuration interaction (1963) (8)
- Geminal Localization in the Separated-Pair π-Electronic Model of Benzene (1971) (8)
- Approximate symmetry-breaking in the independent particle model of monocyclic completely conjugated polyenes (2008) (8)
- Quantum chemical study of transannular interaction. III. Model of (n,n)paracyclophanes in augmented tight-binding approximation not considering the benzene ring distortion (1963) (8)
- Unitary‐group‐based open‐shell coupled‐cluster method with corrections for connected triexcited clusters. I. Theory (1998) (7)
- A study of benzodithiylium by a simple MO LCAO method (1960) (7)
- Analysis and classification of symmetry breaking in linear ABA-type triatomics. (2009) (7)
- Matrix elements of unitary group generators in many-fermion correlation problem. II. Graphical methods of spin algebras (2020) (7)
- COUPLED-CLUSTERANDCONFIGURATION-INTERACTION APPROACHES TO QUASIDEGENERACY (2006) (7)
- Performance of multireference and equation-of-motion coupled-cluster methods for potential energy surfaces of low-lying excited states: symmetric and asymmetric dissociation of water. (2010) (7)
- Direct iterative solution of the generalized Bloch equation. V. Application to N2 (2000) (7)
- Unitary group approach to the many-electron correlation problem: spin-dependent operators (2014) (7)
- Unitary group tensor operator algebras for many-electron systems. III. Matrix elements in U(n1 +n2) ⊃ U(n1) × U(n2) partitioned basis (1993) (6)
- Bond length alternation in cyclic polyenes. VII. Valence bond theory approach (1996) (6)
- Calculation of the excitation energies of benzenium and diphenylmethyl ions by the semiempirical method of limited configuration interaction (1963) (6)
- Explicit algebraic form of coupled cluster equations for the PPP model of benzene with an approximate inclusion of triexcited clusters (1990) (6)
- 1/R Expansion for H2+: Analyticity, Summability, Asymptotics, and Calculation of Exponentially Small Terms (1990) (5)
- Quasi-Spin and the Pseudo-Orthogonal Group in the Hubbard-Model (1994) (5)
- Valence bond corrected single reference coupled cluster approach (1994) (5)
- Energetics of 1,n-didehydro-polyene diradicals and performance of reduced multireference coupled-cluster method (2009) (5)
- Evaluation of group theoretical characteristics using the symbolic manipulation language MAPLE (1994) (5)
- Correction for Triples in Reduced Multireference Coupled-Cluster Approaches (2007) (5)
- Two-point pade approximants in electrochemical kinetic currents (1987) (5)
- Angular correlation in He and He-like atomic ions: a manifestation of the genuine and conjugate Fermi holes (2014) (5)
- Unitary group approach to molecular electronic structure (1979) (4)
- Algebraic solutions for point groups: Cubic groupsG in the group chainG?T?D2?C2 (2000) (4)
- Coupled cluster approach to electron densities (2002) (4)
- Relationship between Lieb and Wu Approach and Standard Configuration Interaction Method for the B−2u State of the Hubbard Model of Benzene (1991) (4)
- Analytic Energy Derivatives for the Direct Iterative Approach to the Generalized Bloch Equation (2001) (4)
- Valence bond corrected single reference coupled cluster approach (1994) (4)
- Multireference coupled-cluster study of the symmetry breaking in the C2B radical. (2011) (4)
- Spin adaptation of antisymmetrized geminal product wave functions (1989) (4)
- Dipole Moment and Polarizability Functions of Ammonia: A Linear-Response Coupled-Cluster Study (1998) (4)
- Independent particle model of spontaneous symmetry breaking in planar π-electron systems (2008) (4)
- Quantum chemical study of transannular interaction. IV. The effect of distortion and mutual shift of the benzene rings in models of (n,n)paracyclophanes (1963) (3)
- Diagrammatic Approach to the Calculation of the Lower Bounds Using Optimized Inner Projection Technique. Application to the Cyclic Polyene Model (1989) (3)
- Coupled-Cluster Approach to Correlation in Small Molecules: (2003) (3)
- Note on the Generalized Hückel treatment of the simple model of aromatic hydrocarbon-carbonium ion charge transfer complex formation (1966) (3)
- The instabilities of the hartree‐fock solutions for cyclic polyenes with respect to the spin and charge density fluctuations (2007) (3)
- Recursive generation of natural orbitals in a truncated orbital space (2005) (3)
- Dense indexing scheme for limited configuration interaction calculations with determinantal basis (1991) (2)
- A direct calculation of the excitation energies of closed-shell systems using the green function techniqueM† (2009) (2)
- Lie algebraic approach to valence bond theory of π‐electron systems: a preliminary study of excited states (2008) (2)
- Unitary group based coupled cluster method for open-shell singlets: application to the a1Δ state of OH+ (2000) (2)
- Michael Alfred Robb: a short biography (2006) (2)
- Trigonometric polynomial interpolation of quantum mechanical properties by mutual perturbation approach (1984) (2)
- Computation of molecular vibrational frequencies using anomalous harmoniclike potentials. (2009) (2)
- Valence bond approach and Verma bases (2018) (2)
- Valence bond description of π-electron systems (1999) (2)
- THE 4550 {\AA} BAND SYSTEM OF GLYOXAL (1963) (2)
- Symmetry-breaking in the independent particle model: nature of the singular behavior of Hartree–Fock potentials (2013) (1)
- Matrix elements of unitary group generators in many-fermion correlation problem. III. Green-Gould approach (2020) (1)
- Potential energy curve of N2 revisited (2011) (1)
- On the cluster structure of linear-chain fermionic wave functions (2015) (1)
- Effect of spin contamination on the prediction of barrier heights by coupled-cluster theory: F+H2→HF+H reaction Dedicated to Professor Michael C. Zerner, a distinguished scientist and educator, and cherished friend and colleague, at the occasion of his 60th birthday. (2000) (1)
- The 4550 Å band system of glyoxal. II. Vibration–rotational analyses for 12 bands of C2H2O2 (1970) (1)
- Multireference coupled-cluster approaches to excited states (2015) (1)
- Mukherjee, D (ed): Applied Many-Body Methods in Spectroscopy and Electronic Structure, Plenum Press, New York, 1992, 291 pages, US $79.50 (1996) (0)
- A tribute to professor Jaroslav Koutecky (1987) (0)
- Geminal Localization in the Separated-Pair Model II. Excited States of the Φ-Electronic Model of Benzene† (2009) (0)
- Valence bond corrected single reference coupled cluster approach (1994) (0)
- CCSD(T) calculations of stabilities and properties of confined systems (2015) (0)
- Comment: On the derivation of coupled cluster equations (1985) (0)
- CONTINUOUS GROUPS AND MOLECULAR ELECTRONIC STRUCTURE (2004) (0)
- A Graphical Method for Calculating First Order Transition Matrices for Open-Shell Atoms in the Random Phase Approximation (2017) (0)
- Two remarks concerning the properties of the Dewar reactivity number (1961) (0)
- Correlation effects in the low‐lying excited states of the PPP models of alternant hydrocarbons. II. State correlation diagrams (2009) (0)
- Nondynamic Correlation and Coupled‐Cluster Methods (2008) (0)
- CONVERGENCE OF THE RAYLEIGH-SCHROEDINGER PERTURBATION EXPANSIONS FOR THE ENERGY LEVELS OF THE PARISER-PARR-POPLE MODEL OF THE BENZENE MOLECULE (1974) (0)
- Erratum: Diagrammatical Method for Geminals. II. Applications (1972) (0)
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