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

Maurice G. Sheppard; Karl F. Freed

doi:10.1063/1.442620

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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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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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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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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Third-order many-body perturbation theory in the Moller-Plesset partitioning applied to an infinite alternating hydrogen chain

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/18/32/012 ◽

1985 ◽

Vol 18 (32) ◽

pp. 6011-6022 ◽

Cited By ~ 62

Author(s):

C -M Liegener

Keyword(s):

Perturbation Theory ◽

Many Body ◽

Third Order ◽

Many Body Perturbation Theory ◽

Moller Plesset

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Literate many-body perturbation theory programming: Third-order“ring” diagrams

Topics in the Theory Of Chemical and Physical Systems - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-1-4020-5460-0_1 ◽

2007 ◽

pp. 3-33

Author(s):

Stephen Wilson

Keyword(s):

Perturbation Theory ◽

Many Body ◽

Third Order ◽

Many Body Perturbation Theory

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Relativistic multireference many-body perturbation theory for open-shell ions with multiple valence shell electrons: the transition rates and lifetimes of the excited levels in chlorinelike Fe X

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/43/7/074022 ◽

2010 ◽

Vol 43 (7) ◽

pp. 074022 ◽

Cited By ~ 13

Author(s):

Yasuyuki Ishikawa ◽

Juan A Santana ◽

Elmar Träbert

Keyword(s):

Perturbation Theory ◽

Open Shell ◽

Valence Shell ◽

Transition Rates ◽

Many Body ◽

Many Body Perturbation Theory

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Third-order quasidegenerate many-body perturbation theory calculations for valence state correlation energies of the nitrogen and oxygen atoms and their ions

International Journal of Quantum Chemistry ◽

10.1002/qua.560200804 ◽

2009 ◽

Vol 20 (S15) ◽

pp. 21-31 ◽

Cited By ~ 1

Author(s):

Maurice G. Sheppard ◽

Karl F. Freed

Keyword(s):

Perturbation Theory ◽

Valence State ◽

Many Body ◽

Third Order ◽

State Correlation ◽

Many Body Perturbation Theory ◽

Oxygen Atoms

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Ab initio potentials for (H2S)2, including studies of effects from third‐order many‐body perturbation theory and three‐body nonadditivity

The Journal of Chemical Physics ◽

10.1063/1.457868 ◽

1990 ◽

Vol 92 (6) ◽

pp. 3605-3609 ◽

Cited By ~ 9

Author(s):

David E. Woon ◽

Donald R. Beck

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Many Body ◽

Third Order ◽

Many Body Perturbation Theory ◽

Ab Initio Potentials ◽

Three Body

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