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Quasirelativistic theory equivalent to fully relativistic theory

The Journal of chemical physics, 2005-12, Vol.123 (24), p.241102-241102-4

2005

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IGLO Study of Benzene and Some of Its Isomers and Related Molecules. Search for Evidence of the Ring Current Model

Journal of the American Chemical Society, 1994-06, Vol.116 (12), p.5298-5306

1994

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The Structure of XeF6 and of Compounds Isoelectronic with It. A Challenge to Computational Chemistry and to the Qualitative Theory of the Chemical Bond

Journal of the American Chemical Society, 1996-11, Vol.118 (47), p.11939-11950

1996

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Cumulant expansion of the reduced density matrices

The Journal of chemical physics, 1999-02, Vol.110 (6), p.2800-2809

1999

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Perturbation theory of relativistic corrections: 1. The non-relativistic limit of the Dirac equation and a direct perturbation expansion

Zeitschrift für Physik. D, Atoms, molecules, and clusters, 1989-03, Vol.11 (1), p.15-28

Kutzelnigg, W.

1989

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Relativistic corrections to magnetic properties

Journal of computational chemistry, 1999-09, Vol.20 (12), p.1199-1219

Kutzelnigg, Werner

1999

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Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. IV. Perturbative analysis

The Journal of chemical physics, 2004-04, Vol.120 (16), p.7350-7368

2004

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Relativistic one-electron Hamiltonians `for electrons only' and the variational treatment of the Dirac equation

Chemical physics, 1997-12, Vol.225 (1), p.203-222

Kutzelnigg, Werner

1997

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Normal order and extended Wick theorem for a multiconfiguration reference wave function

The Journal of chemical physics, 1997-07, Vol.107 (2), p.432-449

1997

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Irreducible Brillouin conditions and contracted Schrödinger equations for n -electron systems. I. The equations satisfied by the density cumulants

The Journal of chemical physics, 2001-02, Vol.114 (5), p.2047-2061

2001

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Toward spectroscopic accuracy of ab initio calculations of vibrational frequencies and related quantities: a case study of the HF molecule

Theoretical chemistry accounts, 1998-12, Vol.100 (1-4), p.85-102

1998

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Theory of Magnetic Susceptibilities and NMR Chemical Shifts in Terms of Localized Quantities

Israel journal of chemistry, 1980, Vol.19 (1-4), p.193-200

Kutzelnigg, W.

1980

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Coupled cluster theory that takes care of the correlation cusp by inclusion of linear terms in the interelectronic coordinates

The Journal of chemical physics, 1994-11, Vol.101 (9), p.7738-7762

1994

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Quantum chemistry in Fock space. IV: The treatment of permutational symmetry. Spin-free diagrams with symmetrized vertices

The Journal of chemical physics, 1985-05, Vol.82 (9), p.4166-4186

KUTZELNIGG, W

1985

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Effective Hamiltonians for degenerate and quasidegenerate direct perturbation theory of relativistic effects

The Journal of chemical physics, 1999-05, Vol.110 (17), p.8283-8294

Kutzelnigg, Werner

1999

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n-Electron problem and its formulation in terms of k-particle density cumulants

International journal of quantum chemistry, 2003, Vol.95 (4-5), p.404-423

Kutzelnigg, Werner

2003

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Irreducible Brillouin conditions and contracted Schrödinger equations for n -electron systems. II. Spin-free formulation

The Journal of chemical physics, 2002-03, Vol.116 (12), p.4787-4801

2002

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Some comments on the coupled cluster with generalized singles and doubles (CCGSD) ansatz

Chemical physics letters, 2004-10, Vol.397 (1), p.174-179

2004

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Rates of convergence of the partial-wave expansions of atomic correlation energies

The Journal of chemical physics, 1992-03, Vol.96 (6), p.4484-4508

1992

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Almost variational coupled cluster theory

Molecular physics, 1998-05, Vol.94 (1), p.65-71

KUTZELNIGG, WERNER

1998

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Theory of the expansion of wave functions in a gaussian basis

International journal of quantum chemistry, 1994-09, Vol.51 (6), p.447-463

Kutzelnigg, Werner

1994

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Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. III. Systems of noninteracting electrons

The Journal of chemical physics, 2004-04, Vol.120 (16), p.7340-7349

2004

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Diamagnetism in relativistic theory

Physical review. A, Atomic, molecular, and optical physics, 2003-03, Vol.67 (3), Article 032109

Kutzelnigg, Werner

2003

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Chemical Bonding in Higher Main Group Elements

Angewandte Chemie (International ed.), 1984-04, Vol.23 (4), p.272-295

Kutzelnigg, Werner

1984

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Accurate relativistic energies of one- and two-electron systems using Gaussian wave functions

The Journal of chemical physics, 1996-10, Vol.105 (14), p.5878-5885

1996

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Quasirelativistic theory equivalent to fully relativistic theory

IGLO Study of Benzene and Some of Its Isomers and Related Molecules. Search for Evidence of the Ring Current Model

The Structure of XeF6 and of Compounds Isoelectronic with It. A Challenge to Computational Chemistry and to the Qualitative Theory of the Chemical Bond

Cumulant expansion of the reduced density matrices

Perturbation theory of relativistic corrections: 1. The non-relativistic limit of the Dirac equation and a direct perturbation expansion

Relativistic corrections to magnetic properties

Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. IV. Perturbative analysis

Relativistic one-electron Hamiltonians `for electrons only' and the variational treatment of the Dirac equation

Normal order and extended Wick theorem for a multiconfiguration reference wave function

Irreducible Brillouin conditions and contracted Schrödinger equations for n -electron systems. I. The equations satisfied by the density cumulants

Toward spectroscopic accuracy of ab initio calculations of vibrational frequencies and related quantities: a case study of the HF molecule

Theory of Magnetic Susceptibilities and NMR Chemical Shifts in Terms of Localized Quantities

Coupled cluster theory that takes care of the correlation cusp by inclusion of linear terms in the interelectronic coordinates

Quantum chemistry in Fock space. IV: The treatment of permutational symmetry. Spin-free diagrams with symmetrized vertices

Effective Hamiltonians for degenerate and quasidegenerate direct perturbation theory of relativistic effects

n-Electron problem and its formulation in terms of k-particle density cumulants

Irreducible Brillouin conditions and contracted Schrödinger equations for n -electron systems. II. Spin-free formulation

Some comments on the coupled cluster with generalized singles and doubles (CCGSD) ansatz

Rates of convergence of the partial-wave expansions of atomic correlation energies

Almost variational coupled cluster theory

Theory of the expansion of wave functions in a gaussian basis

Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. III. Systems of noninteracting electrons

Diamagnetism in relativistic theory

Chemical Bonding in Higher Main Group Elements

Accurate relativistic energies of one- and two-electron systems using Gaussian wave functions

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