Spin adapted restricted Hartree–Fock reference coupled cluster theory for open shell systems

The Journal of Chemical Physics ◽

10.1063/1.466359 ◽

1994 ◽

Vol 100 (5) ◽

pp. 3706-3716 ◽

Author(s):

Pavel Neogrády ◽

Miroslav Urban ◽

Ivan Hubac̆

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

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Spin-Adapted restricted Hartree-Fock reference coupled-cluster theory for open-shell systems: Noniterative triples for noncanonical orbitals

International Journal of Quantum Chemistry ◽

10.1002/qua.560550214 ◽

1995 ◽

Vol 55 (2) ◽

pp. 187-203 ◽

Author(s):

Pavel Neogrády ◽

Miroslav Urban

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

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SPIN ADAPTATIONS IN THE OPEN SHELL COUPLED CLUSTER THEORY WITH A SINGLE DETERMINANT RESTRICTED HARTREE-FOCK REFERENCE

Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819529_0009 ◽

1997 ◽

pp. 275-306 ◽

Author(s):

Miroslav Urban ◽

Pavel Neogrády ◽

Ivan Hubač

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

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Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems

The Journal of Chemical Physics ◽

10.1063/1.5001320 ◽

2017 ◽

Vol 147 (17) ◽

pp. 174104 ◽

Author(s):

Lee M. J. Huntington ◽

Martin Krupička ◽

Frank Neese ◽

Róbert Izsák

Keyword(s):

High Spin ◽

Equation Of Motion ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

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Application of open-shell coupled cluster theory to the ground state of GaAs

Theoretica Chimica Acta ◽

10.1007/bf01119621 ◽

1991 ◽

Vol 80 (2-3) ◽

pp. 215-219 ◽

Author(s):

Gustavo E. Scuseria

Keyword(s):

Ground State ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

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Spin adapted restricted open shell coupled cluster theory. Linear version

The Journal of Chemical Physics ◽

10.1063/1.463828 ◽

1992 ◽

Vol 97 (7) ◽

pp. 5074-5080 ◽

Author(s):

Pavel Neogrády ◽

Miroslav Urban ◽

Ivan Hubač

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

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Communication: Spin-orbit splittings in degenerate open-shell states via Mukherjee's multireference coupled-cluster theory: A measure for the coupling contribution

The Journal of Chemical Physics ◽

10.1063/1.3694132 ◽

2012 ◽

Vol 136 (11) ◽

pp. 111103 ◽

Author(s):

Leonie Anna Mück ◽

Jürgen Gauss

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

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Spherical coupled-cluster theory for open-shell nuclei

Physical Review C ◽

10.1103/physrevc.88.024305 ◽

2013 ◽

Vol 88 (2) ◽

Author(s):

G. R. Jansen

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

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Applications of open-shell coupled cluster theory using an eigenvalue-independent partitioning technique: Approximate inclusion of triples in IP calculations

Chemical Physics Letters ◽

10.1016/0009-2614(89)87064-2 ◽

1989 ◽

Vol 162 (4-5) ◽

pp. 393-398 ◽

Author(s):

Rajat Chaudhuri ◽

Debasis Mukhopadhyay ◽

Debashis Mukherjee

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Partitioning Technique

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Erratum: “Coupled cluster theory for high spin, open shell reference wave functions” [ J. Chem. Phys. 99, 5219 (1993)]

The Journal of Chemical Physics ◽

10.1063/1.480886 ◽

2000 ◽

Vol 112 (6) ◽

pp. 3106-3107 ◽

Author(s):

Peter J. Knowles ◽

Claudia Hampel ◽

Hans-Joachim Werner

Keyword(s):

High Spin ◽

Chem Phys ◽

Wave Functions ◽

Reference Wave ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

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Applications of open-shell coupled cluster theory using an eigenvalue-independent partitioning technique: approximate inclusion of triples in IP calculations

Chemical Physics Letters ◽

10.1016/0009-2614(90)87060-5 ◽

1990 ◽

Vol 166 (1) ◽

pp. 106

Author(s):

R. Chaudhuri ◽

D. Mukhopadhyay ◽

D. Mukherjee

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Partitioning Technique

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