Open-Shell coupled-cluster method: Variational and nonvariational calculation of ionization potentials

International Journal of Quantum Chemistry ◽

10.1002/qua.560290316 ◽

1986 ◽

Vol 29 (3) ◽

pp. 425-433 ◽

Author(s):

Azizul Haque ◽

Uzi Kaldor

Keyword(s):

Ionization Potentials ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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An open-shell spin-restricted coupled cluster method: application to ionization potentials in nitrogen

The Journal of Physical Chemistry ◽

10.1021/j100322a004 ◽

1988 ◽

Vol 92 (11) ◽

pp. 3033-3036 ◽

Author(s):

Magnus Rittby ◽

Rodney J. Bartlett

Keyword(s):

Ionization Potentials ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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The open‐shell coupled‐cluster method: Ionization potentials and electron affinities of the alkali atoms, Li to Cs

The Journal of Chemical Physics ◽

10.1063/1.452832 ◽

1987 ◽

Vol 87 (8) ◽

pp. 4693-4695 ◽

Author(s):

Uzi Kaldor

Keyword(s):

Ionization Potentials ◽

Cluster Method ◽

Coupled Cluster ◽

Electron Affinities ◽

Coupled Cluster Method ◽

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The open‐shell coupled‐cluster method: Excitation energies and ionization potentials of H2O

The Journal of Chemical Physics ◽

10.1063/1.453592 ◽

1987 ◽

Vol 87 (1) ◽

pp. 467-471 ◽

Author(s):

Uzi Kaldor

Keyword(s):

Ionization Potentials ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Excitation Energies

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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 ◽

Author(s):

XIANGZHU LI ◽

JOSEF PALDUS

Keyword(s):

Unitary Group ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Coupled-cluster method for open-shell heavy-element systems with spin-orbit coupling

The Journal of Chemical Physics ◽

10.1063/1.4979491 ◽

2017 ◽

Vol 146 (13) ◽

pp. 134108 ◽

Author(s):

Zhanli Cao ◽

Fan Wang ◽

Mingli Yang

Keyword(s):

Heavy Element ◽

Orbit Coupling ◽

Cluster Method ◽

Coupled Cluster ◽

Spin Orbit Coupling ◽

Coupled Cluster Method

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Direct Calculation of Molecular Transition Energies by the Open-Shell Coupled-Cluster Method

The Structure of Small Molecules and Ions ◽

10.1007/978-1-4684-7424-4_21 ◽

1988 ◽

pp. 197-208

Author(s):

Uzi Kaldor ◽

Sigalit Ben-Shlomo

Keyword(s):

Direct Calculation ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Transition Energies ◽

Molecular Transition

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Shell-model coupled-cluster method for open-shell nuclei

Physical Review C ◽

10.1103/physrevc.98.054320 ◽

2018 ◽

Vol 98 (5) ◽

Author(s):

Z. H. Sun ◽

T. D. Morris ◽

G. Hagen ◽

G. R. Jansen ◽

T. Papenbrock

Keyword(s):

Shell Model ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Applications of the Open-Shell Coupled-Cluster Method

Lecture Notes in Chemistry - Aspects of Many-Body Effects in Molecules and Extended Systems ◽

10.1007/978-3-642-61330-2_8 ◽

1989 ◽

pp. 155-164 ◽

Author(s):

Uzi Kaldor

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Direct calculation of vertical ionization potentials by the coupled-cluster method

Chemical Physics Letters ◽

10.1016/0009-2614(90)85298-q ◽

1990 ◽

Vol 173 (1) ◽

pp. 33-36 ◽

Author(s):

Stanislav Biskupička ◽

V. Kvasnička ◽

R. Klein

Keyword(s):

Direct Calculation ◽

Ionization Potentials ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Vertical Ionization Potentials

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Comprehensive Benchmark Results for the Domain Based Local Pair Natural Orbital Coupled Cluster Method (DLPNO-CCSD(T)) for Closed- and Open-Shell Systems

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b05734 ◽

2019 ◽

Vol 124 (1) ◽

pp. 90-100 ◽

Author(s):

Dimitrios G. Liakos ◽

Yang Guo ◽

Frank Neese

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Natural Orbital ◽

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