Werner Kutzelnigg
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Austrian chemist
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Chemistry
Werner Kutzelnigg's Degrees
- PhD Chemistry University of Vienna
Why Is Werner Kutzelnigg Influential?
(Suggest an Edit or Addition)According to Wikipedia, Werner Kutzelnigg was a prominent Austrian-born theoretical chemist and professor in the Chemistry Faculty, Ruhr-Universität Bochum, Germany. Kutzelnigg was born in Vienna. His most significant contributions were in the following fields: relativistic quantum chemistry, coupled cluster methods, theoretical calculation of NMR chemical shifts, explicitly correlated wavefunctions. He was a member of the International Academy of Quantum Molecular Science.
Werner Kutzelnigg's Published Works
Number of citations in a given year to any of this author's works
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
- Theory of Magnetic Susceptibilities and NMR Chemical Shifts in Terms of Localized Quantities (1982) (748)
- Chemical Bonding in Higher Main Group Elements (1984) (649)
- Wave functions with terms linear in the interelectronic coordinates to take care of the correlation cusp. I. General theory (1991) (498)
- r12-Dependent terms in the wave function as closed sums of partial wave amplitudes for large l (1985) (477)
- Rates of convergence of the partial‐wave expansions of atomic correlation energies (1992) (395)
- The IGLO-Method: Ab-initio Calculation and Interpretation of NMR Chemical Shifts and Magnetic Susceptibilities (1990) (391)
- Quasirelativistic theory equivalent to fully relativistic theory. (2005) (339)
- Quantum chemistry in Fock space. I. The universal wave and energy operators (1982) (272)
- PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. I. Outline of the method for closed‐shell states (1975) (270)
- Møller-plesset calculations taking care of the correlation CUSP (1987) (254)
- Basis set expansion of the dirac operator without variational collapse (1984) (249)
- Coupled cluster theory that takes care of the correlation cusp by inclusion of linear terms in the interelectronic coordinates (1994) (246)
- PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. II. The molecules BeH2, BH, BH3, CH4, CH−3, NH3 (planar and pyramidal), H2O, OH+3, HF and the Ne atom (1975) (238)
- Normal order and extended Wick theorem for a multiconfiguration reference wave function (1997) (223)
- CC-R12, a correlation cusp corrected coupled-cluster method with a pilot application to the Be2 potential curve (1992) (215)
- Cumulant expansion of the reduced density matrices (1999) (211)
- Direct Determination of Natural Orbitals and Natural Expansion Coefficients of Many‐Electron Wavefunctions. I. Natural Orbitals in the Geminal Product Approximation (1964) (188)
- Perturbation theory of relativistic corrections (1989) (176)
- Refined abinitio calculation of the potential energy surface of the He–H2 interaction with special emphasis to the region of the van der Waals minimum (1980) (175)
- Sub-microhartree accuracy potential energy surface for H3+ including adiabatic and relativistic effects. I. Calculation of the potential points (1998) (168)
- IGLO STUDY OF BENZENE AND SOME OF ITS ISOMERS AND RELATED MOLECULES. SEARCH FOR EVIDENCE OF THE RING CURRENT MODEL (1994) (167)
- Computational quantum chemistry: A primer (2003) (163)
- Wave functions with terms linear in the interelectronic coordinates to take care of the correlation cusp. III. Second‐order Mo/ller–Plesset (MP2‐R12) calculations on molecules of first row atoms (1991) (147)
- Quantum chemistry in Fock space. III. Particle‐hole formalism (1984) (143)
- The periodic table. Its story and its significance (2009) (143)
- RELATIVISTIC ONE-ELECTRON HAMILTONIANS 'FOR ELECTRONS ONLY' AND THE VARIATIONAL TREATMENT OF THE DIRAC EQUATION (1997) (139)
- Quantum chemistry in Fock space. II. Effective Hamiltonians in Fock space (1983) (139)
- The adiabatic approximation I. The physical background of the Born-Handy ansatz (1997) (132)
- Quasirelativistic theory. II. Theory at matrix level. (2007) (127)
- Direct Calculation of Approximate Natural Orbitals and Natural Expansion Coefficients of Atomic and Molecular Electronic Wavefunctions. II. Decoupling of the Pair Equations and Calculation of the Pair Correlation Energies for the Be and LiH Ground States (1968) (125)
- Error analysis and improvements of coupled-cluster theory (1991) (119)
- Potential energy surface of the H+3 ground state in the neighborhood of the minimum with microhartree accuracy and vibrational frequencies derived from it (1994) (116)
- Theory of the expansion of wave functions in a gaussian basis (1994) (115)
- Correlation Coefficients for Electronic Wave Functions (1968) (110)
- Low-temperature carbon-13 magnetic resonance in solids. 3. Linear and pseudolinear molecules (1984) (108)
- MP2-R12 calculations on the relative stability of carbocations (1990) (103)
- Proton NMR chemical shift and intrinsic acidity of hydroxyl groups. Ab initio calculations on catalytically active sites and gas-phase molecules (1993) (103)
- The MC-IGLO method (1993) (100)
- Sub-microhartree accuracy potential energy surface for H3 + including adiabatic and relativistic effects. II. Rovibrational analysis for H3 + and D3 + (1998) (99)
- Gaussian basis sets and the nuclear cusp problem (1986) (97)
- Pair Correlation Theories (1977) (95)
- Computed potential hypersurface (including electron correlation) of the system Li+/H2 (1973) (94)
- Quasirelativistic theory I. Theory in terms of a quasi-relativistic operator (2006) (91)
- Diamagnetism in relativistic theory (2003) (90)
- Have the ions C2H+3 and C2H+5 classical or non-classical structure? (1973) (85)
- On Different Criteria for the Best Independent‐Particle Model Approximation (1964) (84)
- PNO-CI (pair natural-orbital configuration interaction) and CEPA-PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. (1975) (83)
- Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. I. The equations satisfied by the density cumulants (2001) (82)
- The Physical Mechanism of the Chemical Bond (1973) (82)
- Ab initio calculation of molecular properties (1989) (82)
- Nature of the semipolar XO bond. Comparative ab initio study of H3NO, H2NOH, H3PO, H2POH, H2P(O)F, H2SO, HSOH, HClO, ArO, and related molecules (1979) (81)
- Quantum chemistry in Fock space. IV. The treatment of permutational symmetry. Spin‐free diagrams with symmetrized vertices (1985) (81)
- CH5+ : THE STORY GOES ON. AN EXPLICITLY CORRELATED COUPLED-CLUSTER STUDY (1997) (80)
- Near hartree-fock energy and equilibrium geometry of CH+5 (1970) (78)
- Connected‐diagram expansions of effective Hamiltonians in incomplete model spaces. I. Quasicomplete and isolated incomplete model spaces (1987) (76)
- Ab Initio Computation of 77Se NMR Chemical Shifts with the IGLO-SCF, the GIAO-SCF, and the GIAO-MP2 Methods (1995) (74)
- Accurate relativistic energies of one‐ and two‐electron systems using Gaussian wave functions (1996) (73)
- Interaction potential for He/H2 including the region of the van der waals minimum (1973) (73)
- Perturbation theory of relativistic corrections (1990) (73)
- Molecular Spectroscopy and Molecular Dynamics: Theory and Experiment (1995) (72)
- Connected‐diagram expansions of effective Hamiltonians in incomplete model spaces. II. The general incomplete model space (1987) (71)
- CID and CEPA calculations with linear r12 terms (1991) (71)
- Solved and unsolved problems in relativistic quantum chemistry (2012) (70)
- Relativistic Hartree–Fock by means of stationary direct perturbation theory. I. General theory (1995) (70)
- Which masses are vibrating or rotating in a molecule? (2007) (69)
- Direct calculation of energy differences by a common unitary transformation of two model states, with application to ionization potentials (1979) (66)
- Hund's rules (1996) (64)
- Ab initio calculations of small hydrides including electron correlation (1974) (63)
- The performance of the explicitly correlated coupled cluster method. I. The four‐electron systems Be, Li−, and LiH (1995) (62)
- Magnetic properties in terms of localized quantities. VI. Small hydrides, fluorides, and homonuclear molecules of phosphorus and silicon (1987) (62)
- Use of the squared dirac operator in variational relativistic calculations (1981) (61)
- Symmetry properties of natural orbitals and geminals I. Construction of spin‐ and symmetry‐adapted functions (1968) (60)
- Accurate adiabatic correction for the hydrogen molecule using the Born-Handy formula (1997) (59)
- Relativistic corrections to magnetic properties (1999) (59)
- The ‘‘primitive’’ wave function in the theory of intermolecular interactions (1980) (59)
- What I like about Hückel theory (2007) (59)
- Natural states of interacting systems and their use for the calculation of intermolecular forces.: III. One-term approximations of oscillator strength sums and dynamic polarizabilities (1978) (58)
- The relativistic many body problem in molecular theory (1987) (57)
- Origin and meaning of the Fermi contact interaction (1988) (56)
- Calculation of nuclear magnetic resonance shieldings and magnetic susceptibilities using multiconfiguration Hartree–Fock wave functions and local gauge origins (1996) (56)
- Potential curve of the lowest triplet state of Li2 (1972) (55)
- The Structure of XeF6 and of Compounds Isoelectronic with It. A Challenge to Computational Chemistry and to the Qualitative Theory of the Chemical Bond (1996) (54)
- CC-R12: AN Explicitly Correlated Coupled-Cluster Theory (1997) (53)
- Erratum: Rates of convergence of the partial-wave expansions of atomic correlation energies [J. Chem. Phys. 96, 4484 (1992)] (1992) (53)
- Ab initio calculations on small hydrides including electron correlation (1968) (53)
- Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. IV. Perturbative analysis. (2004) (52)
- Correlation and Localization (1999) (51)
- Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems. II. Spin-free formulation (2002) (51)
- Comparison of restricted, unrestricted, inverse, and dual kinetic balances for four-component relativistic calculations (2011) (50)
- Orthogonal and non-orthogonal hybrids (1988) (50)
- Ab initio calculation of the reaction path for the addition of singlet (1A1) methylene to ethylene (1978) (49)
- Relativistic Hartree-Fock by means of stationary direct perturbation theory. II. Ground states of rare gas atoms (1995) (49)
- Configuration interaction calculations with terms linear in the interelectronic coordinate for the ground state of H+3. A benchmark study (1993) (48)
- Ab-initio calculations on small hydrides including electron correlation (1973) (48)
- Density-cumulant functional theory. (2006) (47)
- A CCSD(T)-R12 study of the ten-electron systems Ne, F-, HF, H2O, NH3, NH4+ and CH4 (1997) (47)
- Chemical bond in phosphoranes. Comparative ab initio study of difluorophosphorane phosphorane and the hypothetical molecules nitrogen difluoride trihydride and phosphorane (1975) (45)
- Hund's rules, the alternating rule, and symmetry holes (1993) (45)
- Generalized k-particle brillouin conditions and their use for the construction of correlated electronic wavefunctions (1979) (44)
- Comparison of CEPA and CP-MET methods (1980) (43)
- Ab-initio calculation of van der waals constants (C6, C8, C10) for two-valence-electron atoms, including correlation effects (1976) (41)
- On the validity of the electron pair approximation for the Beryllium ground state (1965) (40)
- Direct perturbation theory of relativistic effects for explicitly correlated wave functions: The He isoelectronic series (1997) (40)
- Perturbative relativistic calculations for one-electron systems in a Gaussian basis (1992) (39)
- Spinfree formulation of reduced density matrices, density cumulants and generalised normal ordering (2010) (38)
- Perturbation Theory of Relativistic Effects (2002) (37)
- Ab-Initio Calculations of Small Hydrides including electron correlation: II. Preliminary results for the CH4 ground state (1968) (37)
- Origin of the dimerization energy of BH3 to B2H6 (1970) (37)
- Stationary perturbation theory (1992) (36)
- Non-adiabatic theory in terms of a single potential energy surface. The vibration–rotation levels of H2+ and D2+ (2008) (36)
- Present and future trends in quantum chemical calculations (1988) (36)
- Friedrich Hund and Chemistry (1996) (36)
- Simulation of the influence of the core electrons by a pseudopotential I. atoms with one and two valence electrons (1968) (36)
- Electron Correlation at the Dawn of The 21st century (2000) (36)
- On the solution of the quantum mechanical two-electron problem by direct calculation of the natural orbitals (1966) (35)
- Theoretical study of the reaction phosphorane .fwdarw. phosphine + hydrogen (1982) (35)
- Explicitly correlated potential energy surface of , including relativistic and adiabatic corrections (2006) (34)
- The hartree-fock and the correlation energies of the H + 3 ion and their dependence on the nuclear configuration (1967) (33)
- Applications and evaluations of IGLO (individual gauge for localized orbitals) chemical shift calculations for organolithium compounds (1991) (32)
- Analysis of the chemical bond (1976) (32)
- Effective Hamiltonians for degenerate and quasidegenerate direct perturbation theory of relativistic effects (1999) (31)
- Density functional theory in terms of a Legendre transformation for beginners (2006) (31)
- Relativistic MCSCF by means of quasidegenerate direct perturbation theory. I. Theory (2000) (31)
- The Physical Origin of the Chemical Bond (1990) (31)
- Relativistic theory of nuclear magnetic resonance parameters in a Gaussian basis representation. (2009) (31)
- Extremal Electron Pairs — Application to Electron Correlation, Especially the R12 Method (1999) (30)
- Almost variational coupled cluster theory (1998) (30)
- CC-R12 calculations on the lowest stationary points of the H5+ energy surface (2000) (30)
- Low temperature 13C NMR magnetic resonance in solids 4. Cyclopropane, bicyclo[1.1.0]butane and [1.1.1] propellane (1985) (30)
- Simulation of the influence of the core electrons by a pseudopotential.: III. Calculation of the Van der waals forces between alkali atoms (1969) (29)
- Formation of the chemical bond and orbital contraction (1982) (29)
- How many‐body perturbation theory (MBPT) has changed quantum chemistry (2009) (29)
- Direct determination of the cumulants of the reduced density matrices (2000) (28)
- Open- and closed-shell states in few-particle quantum mechanics. I. Definitions (1968) (28)
- The 7‐Norbornadienyl Cation: An NMR/IGLO Validation of its ab initio Structure (1989) (27)
- Does the polarization approximation converge for large R to a primitive or a symmetry-adapted wavefunction? (1992) (27)
- Ab initio calculation including electron correlation of the structure and binding energy of borane(5) and heptahydrodiborate(1-) ion (1975) (27)
- Separation of strong (bond-breaking) from weak (dynamical) correlation (2012) (27)
- Analysis of the chemical bond (1977) (26)
- Density cumulant functional theory: first implementation and benchmark results for the DCFT-06 model. (2010) (25)
- Relativistic corrections to the partial wave expansion of two-electron atoms† (2008) (25)
- Quantum chemical studies of CO, CS and related double bonds (1977) (25)
- Quantum chemical calculation of intermolecular interaction potentials, mainly of van-der-Waals type (1977) (24)
- Symmetry Properties of Reduced Density Matrices and Natural p-States (1970) (24)
- Potential curve of the Li2 ground state for large internuclear distances. A contribution to the understanding of interatomic forces (1970) (23)
- Completeness of a kinetically balanced Gaussian basis. (2007) (23)
- Theory of Electron Correlation (2003) (23)
- Fock space perturbation theory (1981) (22)
- Lower Bounds for the Eigenvalues of First‐Order Density Matrices (1965) (22)
- The IGLO method. Recent developments (1993) (22)
- Generalization of Kato’s Cusp Conditions to the Relativistic Case (1989) (22)
- Basis-set expansion of the Dirac equation without variational collapse: Numerical test of the forth-back free-particle Foldy-Wouthuysen transformation (1983) (21)
- Quantum Chemistry in Fock Space (1989) (21)
- The Molecular Orbital Theory of Organic Chemistry. Von M. J. S. Dewar. Aus der Reihe „McGraw‐Hill Series in Advanced Chemistry”︁ McGraw‐Hill Book Corp., New York 1969. 1. Aufl., XIV, 484 S., zahlr. Abb. u. Tab., geb. ca. DM 74.— (1970) (21)
- Note on the perturbation theory of electron correlation (1975) (21)
- Ab initio calculations of small hydrides including electron correlation (1973) (20)
- Response to “Comment on ‘Quasirelativistic theory equivalent to fully relativistic theory’ ” [J. Chem. Phys. 123, 241102 (2005)] (2006) (20)
- Minimal parametrization of an n-electron state (2005) (20)
- New derivation and a k‐particle generalization of SCF‐type theories (1980) (19)
- Stationary perturbation theory (1993) (19)
- Phosphorus-31 Solid-State NMR Study of Iminophosphines: Influence of Electronic Structure and Configuration of the Double Bond on Phosphorus Shielding (1994) (18)
- Fundamentals of Nonrelativistic and Relativistic Theory of NMR and EPR Parameters (2004) (18)
- Time‐independent theory of one‐particle Green’s functions (1989) (18)
- σ and π Electrons in theoretical organic chemistry (1971) (18)
- Some comments on the coupled cluster with generalized singles and doubles (CCGSD) ansatz (2004) (17)
- Unconventional Aspects of Coupled-Cluster Theory (2010) (16)
- Natural states of interacting systems and their use for the calculation of intermolecular forces.: I. General theory of the natural states of interacting systems (1978) (15)
- n‐Electron problem and its formulation in terms of k‐particle density cumulants (2003) (15)
- Relativistic MCSCF by means of quasidegenerate direct perturbation theory. II. Preliminary applications (2000) (15)
- Equilibrium structure and harmonic force field of the known PH3 and the unknown PH5 (1979) (15)
- Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. III. Systems of noninteracting electrons. (2004) (14)
- Conditions for the existence of the “primitive function” in “exchange perturbation theory” (1978) (14)
- Expansion of a wave function in a Gaussian basis. I. Local versus global approximation (2013) (14)
- Natural states of interacting systems and their use for the calculation of intermolecular forces. II. Natural states in the asymptotic 1/R expansion (1978) (14)
- Density cumulant functional theory from a unitary transformation: N-representability, three-particle correlation effects, and application to O4(+). (2014) (14)
- Ab initio IGLO calculations of 31P NMR shielding tensors of thiophosphoryl compounds. I—dithiadiphosphetanes and dithioxophosphoranes (1994) (13)
- Asymptotic behavior of the primitive function of different “symmetry‐adapted” perturbation schemes for the H 2+ ground state (1978) (13)
- Perspective on “Quantum mechanics of many-electron systems” (2000) (13)
- Conformational effects on 13C-NMR chemical shifts of an amorphous polymer : an ab initio study by the IGLO method (1994) (13)
- On the dependence of the energy given by a CI limited to double substitutions with respect to the number of electrons (1977) (12)
- The principle-quantum-number (and the radial-quantum-number) expansion of the correlation energy of two-electron atoms. (2008) (12)
- Direct calculation of energy differences, such as ionization potentials (1986) (11)
- An Effective Liouvillean Formalism for Propagators in Fock Space: Connection with Effective Hamiltonian Approach for Energy Differences (1989) (11)
- Convergence of Expansions in a Gaussian Basis (1996) (11)
- Open‐ and closed‐shell states in few‐particle quantum mechanics. II. Classification of atomic states (1968) (10)
- Localization and Correlation (1975) (9)
- Electron correlation and electron pair theories (1973) (9)
- Density Functional Theory (DFT) and ab-initio Quantum Chemistry (AIQC). Story of a difficult partnership (2006) (8)
- NMR Chemical Shift Computation: Ab Initio (2002) (8)
- On the solution of the quantum mechanical two-electron problem by direct calculation of the natural orbitals (1966) (8)
- IGLO Calculations of Phosphorus NMR Chemical Shifts (1993) (8)
- Book Review: Atoms in Molecules. A Quantum Theory. (International Series Monographs on Chemistry, Vol. 22). By R. F. W. Bader (1993) (7)
- Experiences with the Cyber 205 for Quantum Chemical Calculations (1986) (6)
- Generalized Normal Ordering, Irreducible Brillouin Conditions, and Contracted Schrödinger Equations (2007) (6)
- Erratum: “Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. I. The equations satisfied by the density cumulants” [J. Chem. Phys. 114, 2047 (2001)] (2001) (6)
- Rate of convergence of basis expansions in quantum chemistry (2012) (5)
- One‐term approximations to oscillator strength sums (1978) (5)
- Matrix formulation of direct perturbation theory of relativistic effects in a kinetically balanced basis (2008) (5)
- Ab initio calculations of small hydrides including electron correlation (1971) (4)
- Methods and Applications of Quantum Chemistry. Part I: Physical and Mathematical Basis (1966) (4)
- IGLO Calculations of NMR Chemical Shifts in Some Silicon and Phosphorus Containing Polycycles (1994) (4)
- CHEMICAL BONDING IN THE HIGHER MAJOR GROUP ELEMENTS (1984) (4)
- The Theory of Ring‐Opening Reactions (1967) (3)
- The Many-Body Perturbation Theory of Brueckner and Goldstone (1992) (3)
- Shielding Calculations: IGLO Method (2007) (3)
- Comment on ‘Theoretical calculations of the nuclear magnetic shielding tensors for the ethylenic carbon atoms in cyclopropenes’ (1994) (3)
- An alternative hierarchy of electron correlation beyond the electron pair approximation. (2010) (3)
- A relation between the angular moments of natural orbitals and natural geminals (1969) (2)
- R. N. Zare: Angular Momentum. Understanding Spatial Aspects in Chemistry and Physics, John Wiley and Sons, New York, Chichester, Brisbane, Toronto, Singapore 1988. 350 Seiten, Preis: $ 34.50. (1989) (2)
- Comparison of CEPA and CP-MET methods (1981) (2)
- Møller Plesset Calculations with Explicitly Correlated Wave Functions (1989) (2)
- Advances in Quantum Chemistry, Vol. 2. Herausgeg. von P. O. Löwdin, Academic Press, Inc., New York‐London 1965. 1. Aufl., XI, 372 S., 79 Abb., geb $ 14.50 (1967) (2)
- APPROXIMATION BY A SINGLE SLATER DETERMINANT. (1968) (2)
- Dangerous Liaisons or Unavoidable Associations: Quantum Chemistry at the Crossroads of Chemistry, Physics and Mathematics (2008) (2)
- Hans Bethe (1906–2005) and Ligand Field Theory (2005) (2)
- The Molecular Orbital Theory of Conjugated Systems. Von L. Salem. W. A. Benjamin, Inc., New York‐Amsterdam 1966. 1. Aufl., XVI, 576 S., zahlr. Abb., Ganzleinen $ 22.50 (1967) (2)
- THE INDEPENDENT PARTICLE MODEL FOR MANYELECTRON SYSTEM. II. SYMMETRY PROPERTIES AND CRITERIA FOR THE VALIDITY OF THE INDEPENDENT PARTICLE MODEL. (1964) (1)
- Nuclear Magnetic Shielding Tensors in Phosphorus Containing Ring Systems. A Theoretical Study (1994) (1)
- On the accuracy of conventional calculations of potential energy surfaces (1988) (1)
- The Hypothetical PH5 Molecule and its Reaction to PH3+H2 (1983) (1)
- H. C. Longuet‐Higgins and J. A. Pople: Theoretical Chemistry (2004) (1)
- THE CHEMICAL BOND IN PHOSPHORANES. COMPARATIVE AB INITIO STUDY OF PH3F2 AND THE HYPOTHETICAL MOLECULES NH3F2 AND PH45 (1975) (1)
- THEORETICAL STUDY OF THE REACTION PHOSPHORANE → PHOSPHINE + HYDROGEN (1982) (1)
- Advanced Physical Chemistry. Molecules, Structure and Spectra. Von J. C. Davis, jr. The Ronald Press Company, New York 1965. 1. Aufl., X, 632 S., zahlr. Abb., Ganzleinen $ 12.00 (1967) (1)
- σ and π Electrons in Organic Compounds (1971) (1)
- Molecular orbital theories of bonding in organic molecules. Von R. L. Flurry jr., Marcel Dekker, Inc., New York 1968. 1. Aufl., X, 334 S., zahlr. Abb. und Tab. geh. $ 17.75 (1969) (1)
- Direct Perturbation Theory of Relativistic Effects (2003) (1)
- Rate of Convergence of the Partial Wave Expansion of Atomic States. Unnatural Parity States. Hund's Rules (2005) (1)
- No Time to be Brief. A scientific biography of Wolfgang Pauli. By C. P. Enz. (2004) (1)
- What ab-initio Quantum Chemistry (AIQC) and Density Functional Theory (DFT) can learn from each other (2010) (0)
- A. C. Hurley: Introduction to the Electronic Theory of Small Molecules. Academic Press, London, New York, San Francisco 1976. 329 Seiten, Preis: £ 12.– / $ 26.25 (1978) (0)
- Rate of Convergence of the Expansion of a Wavefunction in a Gaussian Basis (2005) (0)
- MTP International Review of Science. Theoretical Chemistry. Physical Chemistry, Series One. Vol. 1. Herausgeg. von W. Byers Brown. Butterworths, London/University Park Press, Baltimore 1972. 1. Aufl., 295 S., zahlr. Abb. und Tab., geb. £ 10.— (1974) (0)
- Commentationes Ab initio Calculations on Small Hydrides Including Electron Correlation I. The BeH~ Molecule in Its Ground State (1968) (0)
- Book Review: MTP International Review of Science. Theoretical Chemistry. Physical Chemistry, Series One. Vol. 1. Edited by W. Byers Brown (1974) (0)
- Book reviews (1993) (0)
- D. P Craig (Ed.): Theoretical Chemistry, Vol. 6: A. C. Hurley: Electron Correlation in Small Molecules. Academic Press, London, New York, San Francisco 1976. 276 Seiten, Preis: £ 10.50, $ 23.- (1978) (0)
- Book reviews (1977) (0)
- I. Prigogine, S. A. Rice (Eds.): Advances in Chemical Physics, Vol. LXI., John Wiley + Sons, New York, Chichester, Brisbane, Toronto, Singapore 1985. 461 Seiten, Preis: £ 76.75. (1986) (0)
- Bjrn O. Roos (1937-2010) (2010) (0)
- Perspective Perspective on ` ` Quantum mechanics of many-electron systems ' ' Dirac PAM ( 1929 ) Proc (0)
- Book reviews (1991) (0)
- Hendrik F. Hameka: Quantum Mechanics, J. Wiley & Sons, New York 1981. 387 Seiten, Preis:£24,‐. (1982) (0)
- Low Temperature 13C NMR in Solids. Part 4. Cyclopropane, Bicyclo[1.1.0]butane and [1.1.1]Propellane. (1986) (0)
- Book Review: HMO – Hükel Molecular Orbitals. By E. Heilbronner and P. A. Straub (1967) (0)
- EFFECTIVE HAMILTONIANS IN FOCK SPACE AND THE SIMULTANEOUS CALCULATION OF SEVERAL ELECTRONIC STATES (1984) (0)
- Elektronische und magnetische Eigenschaften von Molekülen: Molecular Electromagnetism. Von A. Hinchliffe und R. W. Munn. John Wiley & Sons Ltd., Chichester ‐ New York ‐ Brisbane ‐ Toronto ‐ Singapore 1985. 252 S., Tab., £ 24,95. ISBN 0‐471‐90721‐9 (1986) (0)
- Book Review: Kleine Quantenmechanik (Quantum mechanics in brief), by W. Wessel (1967) (0)
- Book Review: Intermolecular Interactions: From Diatomics to Biopolymers. Edited by B. Pullman (1979) (0)
- Book Review: Quantum Mechanics in Chemistry. By M. W. Hanna (1966) (0)
- Book reviews (1977) (0)
- A direct access to many-body perturbation theory (1984) (0)
- Book Review: Symmetry in Chemistry. By H. H. Jaffé and M. Orchin (1966) (0)
- Book Review: The Molecular Orbital Theory of Conjugated Systems, by L. Salem (1967) (0)
- Quantenchemie: Second Quantization‐Based Methods in Quantum Chemistry. Von P. Jørgensen/J. Simons. Academic Press, New York ‐ London ‐ Toronto ‐ Sydney ‐ San Francisco 1981. IX, 172 S., brosch. $29,50. (1982) (0)
- Book Review: The Molecular Orbital Theory of Organic Chemistry. By M. J. S. Dewar (1970) (0)
- Iglo calculations of 19F-NMR chemical shifts (1991) (0)
- Book review (1986) (0)
- Book Review: Ab‐inito Molecular Orbital Theory. By W. J. Hehre, L. Radom, P. von R. Schleyer, and J. A. Pople (1988) (0)
- Book reviews (1987) (0)
- Hund`s rules, symmetry holes, and the alternating rule (1993) (0)
- Minimal parametrization of an n-electron state (18 pages) (2005) (0)
- Ab initio calculation of NMR shielding tensors with applications in structural chemistry (1999) (0)
- CONCERNING THE SYMMETRY PROPERTIES OF THE REDUCED DENSITY MATRIX AND THE NATURAL SPIN ORBITALS AND SPIN GEMINALS (THE NATURAL ONE- AND TWO-ELECTRON FUNCTIONS) (1963) (0)
- Ab initio Study , Including Electron Correlation , of the Electronic Structures , the Dipole Moments , the Static Polarizabilities and of the Harmonic Force Fields of H 2 CO , H 2 CS and H 2 SiO (0)
- Book Review: Advances in Quantum Chemistry, Vol. 2. Edited by P. O. Löwdin (1967) (0)
- Ab initio study, including electron correlation, of the electronic structures, the dipole moments, the static polarizabilities and of the harmonic force fields of H2CO, H2CS and H2SiO (1979) (0)
- Book reviews (1990) (0)
- Book reviews (1977) (0)
- Quantum‐Mechanical Prediction of the Existence and Properties of the Unknown Molecule BeH2 (1968) (0)
- Book reviews (1985) (0)
- Book review (1985) (0)
- Quantum chemical calculations on the problem of 'stereochemically active' electron pairs (1991) (0)
- Theory of 31P Chemical Shifts (1987) (0)
- Intermolecular Interactions: From Diatomics to Biopolymers. Herausgegeben von B. Pullman. John Wiley & Sons, London 1978. 1. Aufl., IX, 447 S., geb. £ 19.50 (1979) (0)
- Book Review: Advanced Physical Chemistry. Molecules, Structure and Spectra, By J. C. Davis jr (1967) (0)
- Book Review: Physikalische Anorganische Chemie (Physical inorganic chemistry), by M. D. Sienko and R. A. Plane. Translated and enlarged by F. Steinbach (1967) (0)
- Book reviews (1991) (0)
- R. McWeeny: Quantum Mechanics, Principles and Formalism, The International Encyclopedia of Physical Chemistry and Chemical Physics, Topic 2: Classical and Quantum Mechanics. Vol. 1. Pergamon Press, Oxford 1972, 155 S., Preis: £ 3,50. (1972) (0)
- Book Review: Molecular Orbital Theories of Bonding in Organic Molecules. By R. L. Flurry, jr. (1969) (0)
- The 7-Norbornadienyl Cation. Corroboration by NMR/IGLO of the Structure (I) Calculated by ab initio Methods. (1989) (0)
- Pseudopotentialtheorie: Pseudopotential Theory of Atoms and Molecules. Von L. Szasz. John Wiley & Sons, New York - Chichester - Brisbane - Toronto - Singapore 1985. 309 S., Tab., £ 56,20. ISBN 0-471-82417-8 (1986) (0)
- Book Review: Einführung in die Liganden‐Feldtheorie (Introduction to Ligand Field Theory). By H. L. Schläfer and G. Gliemann (1968) (0)
- No Time to be Brief. A Scientific Biography of Wolfgang Pauli. Von Charles P. Enz. (2004) (0)
- P. R. Surjan: Second Quantized Approach to Quantum Chemistry. An Elementary Introduction. Springer-Verlag, Berlin 1989. ISBN 3-540-51137-7, 184 Seiten, Preis: 128,– DM (1990) (0)
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