A unitary group formulation of open-shell electron propagator theory

Gregory Born; Isaiah Shavitt

doi:10.1002/qua.560200807

A unitary group formulation of open-shell electron propagator theory

International Journal of Quantum Chemistry ◽

10.1002/qua.560200807 ◽

2009 ◽

Vol 20 (S15) ◽

pp. 63-63

Author(s):

Gregory Born ◽

Isaiah Shavitt

Keyword(s):

Unitary Group ◽

Open Shell ◽

Electron Propagator ◽

Shell Electron ◽

Propagator Theory

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A unitary group formulation of open‐shell electron propagator theory

The Journal of Chemical Physics ◽

10.1063/1.442702 ◽

1982 ◽

Vol 76 (1) ◽

pp. 558-567 ◽

Cited By ~ 27

Author(s):

Gregory Born ◽

Isaiah Shavitt

Keyword(s):

Unitary Group ◽

Open Shell ◽

Electron Propagator ◽

Shell Electron ◽

Propagator Theory

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Spin-adaptation of open-shell electron propagator theory

Chemical Physics Letters ◽

10.1016/j.cplett.2009.12.095 ◽

2010 ◽

Vol 486 (4-6) ◽

pp. 171-177 ◽

Cited By ~ 2

Author(s):

Masaaki Saitow ◽

Tomonori Ida ◽

Motohiro Mizuno

Keyword(s):

Open Shell ◽

Electron Propagator ◽

Shell Electron ◽

Propagator Theory

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Correlated electron propagator theory and applications for open-shell atoms and molecules

International Journal of Quantum Chemistry ◽

10.1002/qua.560280303 ◽

1985 ◽

Vol 28 (3) ◽

pp. 335-348 ◽

Cited By ~ 6

Author(s):

Gregory Born

Keyword(s):

Open Shell ◽

Atoms And Molecules ◽

Electron Propagator ◽

Correlated Electron ◽

Propagator Theory

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Unitary group based open-shell coupled cluster method with corrections for connected triexcited clusters. II. Applications

Molecular Physics ◽

10.1080/00268979809482293 ◽

1998 ◽

Vol 94 (1) ◽

pp. 41-54 ◽

Cited By ~ 12

Author(s):

XIANGZHU LI ◽

JOSEF PALDUS

Keyword(s):

Unitary Group ◽

Open Shell ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Communication: Spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: Analytic evaluation of isotropic hyperfine-coupling constants for the combinatoric open-shell coupled-cluster scheme

The Journal of Chemical Physics ◽

10.1063/1.4923436 ◽

2015 ◽

Vol 143 (1) ◽

pp. 011101 ◽

Cited By ~ 8

Author(s):

Dipayan Datta ◽

Jürgen Gauss

Keyword(s):

Unitary Group ◽

Hyperfine Coupling ◽

Open Shell ◽

Coupling Constants ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Scheme ◽

Isotropic Hyperfine Coupling ◽

Isotropic Hyperfine Coupling Constants ◽

Spin Densities

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Electron binding energies of anionic alkali metal triatomics from partial fourth order electron propagator theory calculations

The Journal of Chemical Physics ◽

10.1063/1.455402 ◽

1988 ◽

Vol 89 (10) ◽

pp. 6353-6356 ◽

Cited By ~ 22

Author(s):

J. V. Ortiz

Keyword(s):

Alkali Metal ◽

Fourth Order ◽

Binding Energies ◽

Electron Propagator ◽

Propagator Theory ◽

Electron Binding Energies ◽

Electron Binding

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Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b00532 ◽

2019 ◽

Vol 123 (10) ◽

pp. 2091-2099 ◽

Cited By ~ 4

Author(s):

Gabriel F. Martins ◽

Benedito J. C. Cabral

Keyword(s):

Molecular System ◽

Binding Energies ◽

Theory Approach ◽

Electron Propagator ◽

Propagator Theory ◽

Electron Binding Energies ◽

Electron Binding

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Calculation and interpretation of total energies in electron propagator theory

The Journal of Chemical Physics ◽

10.1063/1.470545 ◽

1995 ◽

Vol 103 (13) ◽

pp. 5630-5639 ◽

Cited By ~ 13

Author(s):

J. V. Ortiz

Keyword(s):

Electron Propagator ◽

Total Energies ◽

Propagator Theory

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Correction to “Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene”

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b07729 ◽

2019 ◽

Vol 123 (35) ◽

pp. 7672-7672

Author(s):

Gabriel F. Martins ◽

Benedito J. C. Cabral

Keyword(s):

Molecular System ◽

Binding Energies ◽

Theory Approach ◽

Electron Propagator ◽

Propagator Theory ◽

Electron Binding Energies ◽

Electron Binding

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Unitary group based open‐shell coupled cluster approach and triplet and open‐shell singlet stabilities of Hartree–Fock references

The Journal of Chemical Physics ◽

10.1063/1.470380 ◽

1995 ◽

Vol 103 (15) ◽

pp. 6536-6547 ◽

Cited By ~ 22

Author(s):

Xiangzhu Li ◽

Josef Paldus

Keyword(s):

Unitary Group ◽

Open Shell ◽

Coupled Cluster ◽

Cluster Approach ◽

Hartree Fock

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