Jiří Čížek
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Czech chemist
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Jiří Čížek's Degrees
- PhD Chemistry Charles University
Why Is Jiří Čížek Influential?
(Suggest an Edit or Addition)According to Wikipedia, Jiří Čížek is a distinguished emeritus professor at University of Waterloo in Canada. Together with colleague Josef Paldus, in 1966 he reformulated the coupled cluster method for the study of electron correlation in atoms and molecules. He is a Fellow of the Royal Society of Canada and has been honored by the International Academy of Quantum Molecular Science.
Jiří Čížek's Published Works
Published Works
- On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods (1966) (2342)
- On the Use of the Cluster Expansion and the Technique of Diagrams in Calculations of Correlation Effects in Atoms and Molecules (2007) (652)
- 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)
- Fast and robust registration of PET and MR images of human brain (2004) (176)
- Approximate account of the connected quadruply excited clusters in the coupled-pair many-electron theory (1984) (171)
- Direct calculation of the Hartree–Fock interaction energy via exchange–perturbation expansion. The He … He interaction (1987) (140)
- Mechanical and optical properties of hard SiCN coatings prepared by PECVD (2004) (139)
- Coupled Cluster Approach (1980) (132)
- 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)
- Cluster expansion analysis for delocalized systems (1969) (109)
- Large order perturbation theory in the context of atomic and molecular physics—interdisciplinary aspects (1982) (108)
- Coupled cluster approach or quadratic configuration interaction (1989) (107)
- Coupled-cluster studies. II. The role of localization in correlation calculations on extended systems (1985) (106)
- Correlation problems in atomic and molecular systems. VI. Coupled-cluster approach to open-shell systems (1978) (98)
- The summation of the ordinary and renormalized perturbation series for the ground state energy of the quartic, sextic, and octic anharmonic oscillators using nonlinear sequence transformations (1993) (92)
- 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)
- 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)
- 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)
- An algebraic approach to bound states of simple one‐electron systems (1977) (76)
- Reactive magnetron sputtering of hard Si-B-C-N films with a high-temperature oxidation resistance (2005) (75)
- Correlation problems in atomic and molecular systems. VII. Application of the open‐shell coupled‐cluster approach to simple π‐electron model systems (1979) (70)
- Stability conditions for the solutions of the Hartree-Fock equations for the simple open-shell case (1969) (59)
- Lie Algebraic Methods and Their Applications to Simple Quantum Systems (1988) (58)
- Upper and lower bounds of the ground state energy of anharmonic oscillators using renormalized inner projection (1991) (57)
- Stark Effect in Hydrogen: Dispersion Relation, Asymptotic Formulas, and Calculation of the Ionization Rate via High-Order Perturbation Theory (1979) (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)
- Perspective on "On the correlation problern in atomic and molecular systems. Calculation of wavefunction components in UrseH-type expansion using quantum-field theoretical methods" (2000) (50)
- Evaluation of Primary Brain Tumors Using 11C-Methionine PET with Reference to a Normal Methionine Uptake Map (2007) (49)
- Numerical application of the coupled cluster theory with localized orbitals to polymers. IV. Band structure corrections in model systems and polyacetylene (1997) (49)
- The effect of the choice of parameters on the order of energy levels of benzene calculated in the π-electron approximation by the configuration interaction method including double- and triple-excited configurations (1964) (48)
- 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)
- Alternancy symmetry: A unified viewpoint (1985) (45)
- rational approximations for the modified Bessel function of the second kind (1990) (44)
- Very accurate summation for the infinite coupling limit of the perturbation series expansions of anharmonic oscillators (1991) (43)
- Bender-Wu Formula, the SO(4,2) Dynamical Group, and the Zeeman Effect in Hydrogen (1979) (41)
- Influence of nitrogen–argon gas mixtures on reactive magnetron sputtering of hard Si–C–N films (2002) (41)
- Stability Conditions for Maximum-Overlap (Brueckner) Independent-Particle Wave Functions (1973) (41)
- VINCI -"Volume imaging in Neurological Research, Co-Registration and ROIs included" (2004) (34)
- A new method of approximative calculation of polycentric integrals used in the quantum mechanical study of molecular structure (1963) (34)
- Representation theory of so(4,2) for the perturbation treatment of hydrogenic‐type hamiltonians by algebraic methods (1982) (34)
- Perturbation theory and electron correlation in extended systems: Cyclic polyene model (1983) (33)
- Hartree–Fock stability and symmetry breaking: oxygen doubly negative ion (1985) (33)
- Reactive magnetron sputtering of Si–C–N films with controlled mechanical and optical properties (2003) (32)
- On the use of divergent series in vibrational spectroscopy. Two- and three-dimensional oscillators (1993) (31)
- Localization of the filled and virtual orbitals in the nucleotide bases (1983) (31)
- Relationship between quantum-chemical indices of reactivity of polycyclic alternant hydrocarbons (1961) (31)
- A Comment on the Paper by Hideo Fukutome: Spin Density Wave and Charge Transfer Wave in Long Conjugated Molecules†) (1969) (30)
- 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)
- Coupled cluster approach or quadratic–configuration interaction?: Reply to comment by Pople, Head‐Gordon, and Raghavachari (1990) (28)
- Origins of coupled cluster technique for atoms and molecules (1991) (28)
- Application of graphical methods of spin algebras to limited CI approaches. II. A simple open shell case (1977) (27)
- Spin properties of radicaloid alternant hydrocarbons. Exact solutions for representative Pariser–Parr–Pople model systems (1984) (27)
- Coupled-cluster studies. I. Application to small molecules, basis set dependences (1985) (26)
- Full configuration interaction for the π-electronic model of benzene. II. Correlation energy and low lying singlet excitation energies (1971) (25)
- Convergence of the Rayleigh‐Schrödinger perturbation expansions for the energy levels of the Pariser‐Parr‐Pople model of the benzene molecule (1974) (23)
- Nonadiabatic corrections for coupled oscillators using Rayleigh–Schrödinger perturbation theory of very high orders (1995) (23)
- Full configuration interaction for the π-electronic model of benzene. I. General expressions for singlets (1971) (22)
- Mechanical and optical properties of quaternary Si–B–C–N films prepared by reactive magnetron sputtering (2008) (22)
- Numerical application of the coupled cluster theory with localized orbitals to polymers II. Optimal localization of Wannier functions and the correlation energy in different approximations (1996) (20)
- Fourier representation method for accurate evaluation of the Coulomb and exchange lattice sums in extended chains (1994) (19)
- Strong coupling perturbation expansions for anharmonic oscillators. Numerical results (1999) (19)
- Strong coupling perturbation expansions for anharmonic oscillators. Numerical results (1999) (19)
- Symbolic computation in physics and chemistry: Applications of the inner projection technique and of a new summation method for divergent series (1991) (19)
- Comment on the Paper by Harris and Falicov (1970) (17)
- Asymptotic behavior of the ground-state-energy expansion for H/sub 2/ /sup +/ in terms of internuclear separation (1980) (17)
- Behavior of coupled cluster energy in the strongly correlated limit of the cyclic polyene model. Comparison with the exact results (1992) (17)
- Continued fractions and quantum-mechanical large-order perturbation theory: The anharmonic oscillator revisited (1984) (17)
- Novel neuroimaging findings in a patient with cerebral Whipple's disease: a magnetic resonance imaging and positron emission tomography study. (2004) (17)
- Continued fractions and Rayleigh-Schrdinger perturbation theory at large order (1986) (16)
- Inner projection with and without perturbation theory: The anharmonic oscillator revisited and the quadratic Zeeman effect in ground‐state hydrogen (1985) (16)
- Extensions to the approximation functions for the fast calculation of saturated water properties (1992) (16)
- Numerical estimates of the convergence of the Rayleigh‐Schrödinger perturbation expansions for the energy levels of various models of the benzene molecule (1982) (15)
- Relativistic Hartree-Fock Theories for Molecules and Crystals in a Linear Combination of Atomic Orbitals Form (1983) (15)
- Convergence radii of the perturbation expansions for the ground‐state energies of finite Hubbard models (1988) (15)
- Correlation effects in the PPP model of alternant π‐electronic systems: two‐point Padé approximant approach (1975) (14)
- Mismatch negativity in methamphetamine dependence: a pilot study. (2008) (13)
- Rayleigh–Schrödinger perturbation theory for coupled oscillators. III. Curve-crossing problems (1997) (13)
- Bender-Wu formulas for degenerate eigenvalues (1980) (13)
- The Use of Algebraic Methods in Perturbation Theory (1980) (13)
- Lower bounds to ground state eigenvalues of the Schrödinger equation via optimized inner projection: Application to quartic and sextic anharmonic oscillators (1986) (12)
- ON THE USE OF THE SYMBOLIC LANGUAGE MAPLE IN PHYSICS AND CHEMISTRY: SEVERAL EXAMPLES (1993) (12)
- Lower bounds to ground state eigenvalues of the Schrödinger equation via optimized inner projection: Application to quartic and sextic anharmonic oscillators (1986) (12)
- Diagrammatical Method for Geminals. II. Applications (1972) (12)
- Reducible and irreducible pair correlations in benzene (1967) (11)
- The concept of quasispin and its use for the study of physical and chemical properties of alternant conjugated hydrocarbons (1983) (10)
- The application of inner projection technique to many electron systems as compared with the coupled cluster expansion. A study of the Pariser-Parr-Pople model of the benzene molecule (1988) (10)
- Perturbation expansion of the ground‐state energy for the one‐dimensional cyclic Hubbard system in the Hückel limit (1995) (10)
- Coupled cluster studies. III. Comparison of the numerical behaviour of coupled cluster doubles with configuration interaction and perturbation theory. Basis set and geometry optimizations (1986) (10)
- Investigation of the 1E 2g− states in cyclic polyenes (1995) (10)
- Polycentric 2pπ electron repulsion integrals for the benzene molecule (1965) (9)
- Reply to comments on `A new efficient method for calculating perturbation energies using functions which are not quadratically integrable' (1996) (9)
- Visual information processing in recently abstaining methamphetamine-dependent individuals: evoked potentials study (2008) (9)
- Geminal Localization in the Separated-Pair π-Electronic Model of Benzene (1971) (8)
- Renormalized inner projection—a case study: The octic oscillator (1987) (8)
- Construction of interpolant polynomials for approximating eigenvalues of a hamiltonian which is dependent on a coupling parameter (1994) (8)
- Lower bounds for the ground state energy for the PPP and Hubbard models of the benzene molecule (1988) (8)
- Perturbation energy expansion using hypervirial theorem and symbolic computation for the N-dimensional hydrogen atom in an external spherically symmetric field (1988) (7)
- Solution of the One-Dimensional Schroedinger Equation by the Combined Use of Symbolic and Numerical Computation (1995) (6)
- Some comments on the band structure calculations of linear chains in the semiempirical SCF LCAO crystal orbital approximation (1967) (6)
- Two notes on the theory of kinetic and catalytic polarographic currents (1963) (6)
- Explicit algebraic form of coupled cluster equations for the PPP model of benzene with an approximate inclusion of triexcited clusters (1990) (6)
- N-dimensional hydrogen atom in an external spherically symmetric field (1987) (6)
- Brillouin-Wigner perturbation methods for coupled oscillators (1999) (6)
- Quasi-Spin and the Pseudo-Orthogonal Group in the Hubbard-Model (1994) (5)
- Two-point pade approximants in electrochemical kinetic currents (1987) (5)
- Renormalized inner projection, symbolic computation, and Löwdin rational approximants in explicit form (1987) (5)
- 1/R Expansion for H2+: Analyticity, Summability, Asymptotics, and Calculation of Exponentially Small Terms (1990) (5)
- The Use of Symbolic Computation in Solving Some Non-Relativistic Quantum Mechanical Problems (1988) (5)
- A proposal for the calculation of the correlation energy using a one‐center expansion in larger molecules (1980) (5)
- COUPLED CLUSTER MANY ELECTRON THEORY AND THE COHESIVE ENERGY OF LARGE SYSTEMS CONSISTING OF WEAKLY INTERACTING SUBSYSTEMS (1978) (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)
- C.A. Coulson and the surface energy of metals: the distribution of eigenvalues as a difficult problem in number theory (1987) (4)
- A note on the mechanism of charge transport at different temperatures in aperiodic nucleotide base-stacks (2003) (4)
- Diagrammatic Approach to the Calculation of the Lower Bounds Using Optimized Inner Projection Technique. Application to the Cyclic Polyene Model (1989) (3)
- On the proof of the prime number theorem (1981) (3)
- Symbolic computation in quantum mechanics. Several simple examples (1988) (3)
- A remark on the general perturbation theory (1962) (3)
- A marker-free 3 D image registration for the ANCIENT CHARM project . Case study with neutron and X-ray tomography datasets (3)
- The instabilities of the hartree‐fock solutions for cyclic polyenes with respect to the spin and charge density fluctuations (2007) (3)
- Robust Algorithms for Registration of 3D Images of Human Brain (2005) (3)
- Nature of the “sudden polarization” effect and its role in photochemistry (2009) (3)
- Reconstruction of secular polynomials for Hubbard model from energy perturbation series for weak and strong coupling cases (1997) (2)
- Continued fractions for the stirling expansion revisited (1983) (2)
- Dimensionality dependence of total energy of closed shells in a bare Coulomb field for large atomic number (1988) (2)
- On the VB adiabatic–diabatic picture of bonding in CO2+ ☆ (2001) (2)
- Brain studies--image co-registration and template creation. (2001) (2)
- Trigonometric polynomial interpolation of quantum mechanical properties by mutual perturbation approach (1984) (2)
- A direct calculation of the excitation energies of closed-shell systems using the green function techniqueM† (2009) (2)
- ON THE USE OF THE SO(4,2) DYNAMICAL GROUP FOR THE STUDY OF THE GROUND STATE OF A HYDROGEN ATOM IN A HOMOGENEOUS MAGNETIC FIELD (1977) (2)
- On The Tauberian constant in the Ikehara theorem (1999) (1)
- TPX superconducting PF magnets (1995) (1)
- Note on the variation step in the iteration–variation approach: Illustration on the hydrogen atom (1995) (1)
- LETTER TO THE EDITOR: Perturbation theory using functions that are not quadratically integrable (2002) (1)
- VIPRE modeling of VVER-1000 reactor core for DNB analyses (1995) (1)
- LATERAL COOLANT FLOW BETWEEN FUEL ASSEMBLIES IN MIXED CORES (2018) (0)
- Novel Neuroimaging Findings in a Patient with Cerebral Whipple's Disease: A Magnetic Resonance Imaging and Positron Emission Tomography Study (2004) (0)
- New Version of the Rayleigh-Schrödinger Perturbation Theory (2003) (0)
- New version of the Rayleigh–Schrödinger perturbation theory: Examples (2004) (0)
- Comment: On the derivation of coupled cluster equations (1985) (0)
- Robust non-linear registration of 3D medical images with one-to-one deformations. (2005) (0)
- Geminal Localization in the Separated-Pair Model II. Excited States of the Φ-Electronic Model of Benzene† (2009) (0)
- Correlation effects in the low‐lying excited states of the PPP models of alternant hydrocarbons. II. State correlation diagrams (2009) (0)
- Glucose metabolism in distinct human midbrain nuclei and correlations with other brain regions (2005) (0)
- Medical informatics research projects: new ways, new problems (2005) (0)
- Evaluation of quantum mechanical perturbative sums in terms of quadratic surds and their use in the approximation of ζ(3)/π3 (2002) (0)
- Improving accuracy in the characterisation of primary brain tumours with methionine PET: Combining measurement of tumour amino-acid uptake with evaluation of changes in the adjacent brain (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)
- On Tauberian constants for the $(D,\lambda )$ summability (1980) (0)
- MIXED CORE SUBCHANNEL MODEL FOR SUBCAL AND COUPLING WITH ANDREA (2018) (0)
- Erratum: Diagrammatical Method for Geminals. II. Applications (1972) (0)
- Magnocellular system and visual mismatch negativity: stimulus design and clinical findings (2009) (0)
- A Tauberian theorem for distributions (1996) (0)
- The use of the concept of quasispin for the study of physical and chemical properties of alternant conjugated hydrocarbons (2009) (0)
- Analytic calculation of second-order perturbatior energy for the one-dimensional Hubbard model in the Hückel limit (1995) (0)
- A tribute to professor Jaroslav Koutecky (1987) (0)
- Electrophysiological changes of visual information processing in recently abstaining methamphetamine-dependent individuals (2007) (0)
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