Correlation problems in atomic and molecular systems. VI. Coupled-cluster approach to open-shell systems

Physical Review A ◽

10.1103/physreva.17.805 ◽

1978 ◽

Vol 17 (3) ◽

pp. 805-815 ◽

Author(s):

J. Paldus ◽

J. Čížek ◽

M. Saute ◽

A. Laforgue

Keyword(s):

Coupled Cluster ◽

Cluster Approach ◽

Molecular Systems

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Correlation problems in atomic and molecular systems. VII. Application of the open-shell coupled-cluster approach to simple ?-electron model systems

International Journal of Quantum Chemistry ◽

10.1002/qua.560150503 ◽

1979 ◽

Vol 15 (5) ◽

pp. 463-479 ◽

Author(s):

M. Saute ◽

J. Paldus ◽

J. ??�??ek

Keyword(s):

Model Systems ◽

Coupled Cluster ◽

Cluster Approach ◽

Electron Model ◽

Molecular Systems

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Open-Shell Coupled-Cluster Studies of Atomic and Molecular Systems

Condensed Matter Theories ◽

10.1007/978-1-4613-0971-0_7 ◽

1988 ◽

pp. 83-92 ◽

Author(s):

Uzi Kaldor

Keyword(s):

Coupled Cluster ◽

Molecular Systems

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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 ◽

Author(s):

Xiangzhu Li ◽

Josef Paldus

Keyword(s):

Unitary Group ◽

Coupled Cluster ◽

Cluster Approach ◽

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A coupled-cluster approach to the many-body perturbation theory for open-shell systems

International Journal of Quantum Chemistry ◽

10.1002/qua.560140804 ◽

2009 ◽

Vol 14 (S12) ◽

pp. 33-58 ◽

Author(s):

Ingvar Lindgren

Keyword(s):

Perturbation Theory ◽

Coupled Cluster ◽

Many Body ◽

Cluster Approach ◽

Many Body Perturbation Theory ◽

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Valence-specific open-shell coupled-cluster approach using a common vacuum. An application to doublet electronic states

Chemical Physics Letters ◽

10.1016/0009-2614(94)01507-r ◽

1995 ◽

Vol 233 (5-6) ◽

pp. 605-610 ◽

Author(s):

Debashis Mukherjee ◽

Andréi Zaitsevskii

Keyword(s):

Electronic States ◽

Coupled Cluster ◽

Cluster Approach

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The coupled cluster approach with a hybrid treatment of connected triple excitations: Spectroscopic constants in open-shell diatomic molecules, and bond-breaking or twisting potential energy surfaces

Chemical Physics ◽

10.1016/j.chemphys.2011.10.023 ◽

2012 ◽

Vol 401 ◽

pp. 113-118 ◽

Author(s):

Zhuangfei Kou ◽

Jun Shen ◽

Enhua Xu ◽

Shuhua Li

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Diatomic Molecules ◽

Spectroscopic Constants ◽

Coupled Cluster ◽

Bond Breaking ◽

Cluster Approach ◽

Hybrid Treatment ◽

Energy Surfaces

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Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b01145 ◽

2019 ◽

Vol 15 (3) ◽

pp. 1616-1632 ◽

Author(s):

Ahmet Altun ◽

Masaaki Saitow ◽

Frank Neese ◽

Giovanni Bistoni

Keyword(s):

Coupled Cluster ◽

Local Energy ◽

Natural Orbital ◽

Energy Decomposition ◽

Molecular Systems ◽

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Coupled-cluster approach for open-shell systems

Chemical Physics Letters ◽

10.1016/0009-2614(81)85294-3 ◽

1981 ◽

Vol 79 (1) ◽

pp. 89-92 ◽

Author(s):

Vladimir Kvasnička

Keyword(s):

Coupled Cluster ◽

Cluster Approach

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Green’s Function Coupled-Cluster Approach: Simulating Photoelectron Spectra for Realistic Molecular Systems

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b00313 ◽

2018 ◽

Vol 14 (8) ◽

pp. 4335-4352 ◽

Author(s):

Bo Peng ◽

Karol Kowalski

Keyword(s):

Green’S Function ◽

Green's Function ◽

Photoelectron Spectra ◽

Coupled Cluster ◽

Cluster Approach ◽

Molecular Systems

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Open-shell coupled-cluster theory applied to atomic and molecular systems

Chemical Physics Letters ◽

10.1016/0009-2614(85)85242-8 ◽

1985 ◽

Vol 117 (4) ◽

pp. 347-351 ◽

Author(s):

Azizul Haque ◽

Uzi Kaldor

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Molecular Systems

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