Electronic structure and bond length dependence of the effective valence shell Hamiltonian of S2 as studied by quasidegenerate many‐body perturbation theory

Xiao‐Chuan Wang; Karl F. Freed

doi:10.1063/1.452753

Electronic structure and bond length dependence of the effective valence shell Hamiltonian of S2 as studied by quasidegenerate many‐body perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.452753 ◽

1987 ◽

Vol 86 (5) ◽

pp. 2899-2908 ◽

Cited By ~ 29

Author(s):

Xiao‐Chuan Wang ◽

Karl F. Freed

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Bond Length ◽

Valence Shell ◽

Many Body ◽

Length Dependence ◽

Many Body Perturbation Theory ◽

Effective Valence

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Effective valence shell Hamiltonian and potential curves of the oxygen molecule from quasidegenerate many‐body perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.459750 ◽

1991 ◽

Vol 94 (5) ◽

pp. 3778-3789 ◽

Cited By ~ 29

Author(s):

Alfred W. Kanzler ◽

Karl F. Freed

Keyword(s):

Perturbation Theory ◽

Oxygen Molecule ◽

Valence Shell ◽

Many Body ◽

Many Body Perturbation Theory ◽

Effective Valence ◽

Potential Curves

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AB initio treatments of quasidegenerate many-body perturbation theory within the effective valence shell Hamiltonian formalism

The Journal of Physical Chemistry ◽

10.1021/j100209a004 ◽

1982 ◽

Vol 86 (12) ◽

pp. 2130-2133 ◽

Cited By ~ 17

Author(s):

Karl F. Freed ◽

Maurice G. Sheppard

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Hamiltonian Formalism ◽

Valence Shell ◽

Many Body ◽

Many Body Perturbation Theory ◽

Effective Valence

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Test of transferability in the exact effective valence shell Hamiltonian of quasi-degenerate many-body perturbation theory: O2+ calculation from O2 effective Hamiltonian

Chemical Physics Letters ◽

10.1016/0009-2614(85)80253-0 ◽

1985 ◽

Vol 113 (3) ◽

pp. 249-252 ◽

Cited By ~ 7

Author(s):

John J. Oleksik ◽

Toshikazu Takada ◽

Karl F. Freed

Keyword(s):

Perturbation Theory ◽

Valence Shell ◽

Effective Hamiltonian ◽

Many Body ◽

Many Body Perturbation Theory ◽

Effective Valence

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Analysis of ab initio effective valence shell Hamiltonian calculations using third order quasidegenerate many‐body perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.442619 ◽

1981 ◽

Vol 75 (9) ◽

pp. 4507-4524 ◽

Cited By ~ 92

Author(s):

Maurice G. Sheppard ◽

Karl F. Freed

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Valence Shell ◽

Many Body ◽

Third Order ◽

Many Body Perturbation Theory ◽

Effective Valence

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Convergence studies of the effective valence shell Hamiltonian for correlation energies of the fluorine atom and its ions using third order quasidegenerate many‐body perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.442620 ◽

1981 ◽

Vol 75 (9) ◽

pp. 4525-4538 ◽

Cited By ~ 55

Author(s):

Maurice G. Sheppard ◽

Karl F. Freed

Keyword(s):

Perturbation Theory ◽

Fluorine Atom ◽

Valence Shell ◽

Many Body ◽

Third Order ◽

Many Body Perturbation Theory ◽

Effective Valence

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On the use of many-body perturbation theory and quantum-electrodynamics in molecular electronic structure theory

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00477-8 ◽

2001 ◽

Vol 547 (1-3) ◽

pp. 279-291 ◽

Cited By ~ 12

Author(s):

S. Wilson

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Quantum Electrodynamics ◽

Electronic Structure Theory ◽

Structure Theory ◽

Many Body ◽

Molecular Electronic ◽

Many Body Perturbation Theory ◽

Molecular Electronic Structure

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Relativistic Many—Body Perturbation Theory of Atomic and Molecular Electronic Structure

The Effects of Relativity in Atoms, Molecules, and the Solid State ◽

10.1007/978-1-4615-3702-1_16 ◽

1991 ◽

pp. 217-251 ◽

Cited By ~ 2

Author(s):

Stephen Wilson

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Many Body ◽

Molecular Electronic ◽

Many Body Perturbation Theory ◽

Molecular Electronic Structure

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Electronic Structure Calculations: The Many-Body Perturbation Theory (MBPT)

Introduction to Graphene-Based Nanomaterials ◽

10.1017/9781108664462.014 ◽

2020 ◽

pp. 373-378

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Electronic Structure Calculations ◽

Many Body ◽

Many Body Perturbation Theory ◽

The Many ◽

Structure Calculations

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Diagrammatic many-body perturbation theory of atomic and molecular electronic structure

Computer Physics Reports ◽

10.1016/0167-7977(85)90004-8 ◽

1985 ◽

Vol 2 (8) ◽

pp. 391-480 ◽

Cited By ~ 37

Author(s):

Stephen Wilson

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Many Body ◽

Molecular Electronic ◽

Many Body Perturbation Theory ◽

Molecular Electronic Structure

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Many-body perturbation theory and its application to the molecular electronic structure problem

Chemical Modelling ◽

10.1039/9781847553324-00329 ◽

2007 ◽

pp. 329-390 ◽

Cited By ~ 2

Author(s):

S. Wilson

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Many Body ◽

Molecular Electronic ◽

Many Body Perturbation Theory ◽

Structure Problem ◽

Molecular Electronic Structure

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