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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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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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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Unitary group based coupled cluster method for open-shell singlets: application to the a1Δ state of OH+

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00489-9 ◽

2000 ◽

Vol 527 (1-3) ◽

pp. 165-172 ◽

Author(s):

X. Li ◽

J. Paldus

Keyword(s):

Unitary Group ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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The open‐shell coupled‐cluster method in general model space: Five states of LiH

The Journal of Chemical Physics ◽

10.1063/1.455164 ◽

1988 ◽

Vol 89 (2) ◽

pp. 956-958 ◽

Author(s):

Sigalit Ben‐Shlomo ◽

Uzi Kaldor

Keyword(s):

General Model ◽

Model Space ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential

The Journal of Chemical Physics ◽

10.1063/1.4960954 ◽

2016 ◽

Vol 145 (7) ◽

pp. 074110 ◽

Author(s):

Himadri Pathak ◽

Sudip Sasmal ◽

Malaya K. Nayak ◽

Nayana Vaval ◽

Sourav Pal

Keyword(s):

Ionization Potential ◽

Relativistic Equation ◽

Equation Of Motion ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Relativistic Equation Of Motion

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Unitary group based state specific open‐shell‐singlet coupled‐cluster method: Application to ozone and comparison with Hilbert and Fock space theories

The Journal of Chemical Physics ◽

10.1063/1.469005 ◽

1995 ◽

Vol 102 (20) ◽

pp. 8059-8070 ◽

Author(s):

Xiangzhu Li ◽

Josef Paldus

Keyword(s):

Unitary Group ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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The open-shell restricted Hartree—Fock singles and doubles coupled-cluster method including triple excitations CCSD (T): application to C+3

Chemical Physics Letters ◽

10.1016/0009-2614(91)90005-t ◽

1991 ◽

Vol 176 (1) ◽

pp. 27-35 ◽

Author(s):

Gustavo E. Scuseria

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

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