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

Download Full-text

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

Download Full-text

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 ◽

Download Full-text

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 ◽

Download Full-text

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

Download Full-text

Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules

The Journal of Chemical Physics ◽

10.1063/1.1924596 ◽

2005 ◽

Vol 122 (21) ◽

pp. 214107 ◽

Author(s):

Marta Włoch ◽

Jeffrey R. Gour ◽

Karol Kowalski ◽

Piotr Piecuch

Keyword(s):

Electronic States ◽

Coupled Cluster ◽

Excited Electronic States ◽

Coupled Cluster Methods ◽

Cluster Methods

Download Full-text

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

Download Full-text

Ab initio study of the low-lying electronic states of Ag3−, Ag3, and Ag3+: A coupled-cluster approach

The Journal of Chemical Physics ◽

10.1063/1.481553 ◽

2000 ◽

Vol 112 (21) ◽

pp. 9335-9342 ◽

Author(s):

Jungjoo Yoon ◽

Kwang S. Kim ◽

Kyoung K. Baeck

Keyword(s):

Ab Initio ◽

Electronic States ◽

Coupled Cluster ◽

Ab Initio Study ◽

Cluster Approach

Download Full-text

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

Download Full-text

Spin‐adapted open‐shell state‐selective coupled cluster approach and doublet stability of its Hartree–Fock reference

The Journal of Chemical Physics ◽

10.1063/1.468766 ◽

1995 ◽

Vol 102 (5) ◽

pp. 2013-2023 ◽

Author(s):

Xiangzhu Li ◽

Josef Paldus

Keyword(s):

Coupled Cluster ◽

Cluster Approach ◽

Download Full-text

A coupled cluster approach with a hybrid treatment of connected triple excitations: Implementation and applications for open-shell systems

The Journal of Chemical Physics ◽

10.1063/1.3518100 ◽

2010 ◽

Vol 133 (23) ◽

pp. 234106 ◽

Author(s):

Jun Shen ◽

Zhuangfei Kou ◽

Enhua Xu ◽

Shuhua Li

Keyword(s):

Coupled Cluster ◽

Cluster Approach ◽

Hybrid Treatment

Download Full-text