Ground states of BeC and MgC: A comparative multireference Brillouin-Wigner coupled cluster and configuration interaction study

Vasilios I. Teberekidis; Ioannis S. K. Kerkines; Constantinos A. Tsipis; Petr ?�rsky; Aristides Mavridis

doi:10.1002/qua.20379

Ground states of BeC and MgC: A comparative multireference Brillouin-Wigner coupled cluster and configuration interaction study

International Journal of Quantum Chemistry ◽

10.1002/qua.20379 ◽

2005 ◽

Vol 102 (5) ◽

pp. 762-774 ◽

Cited By ~ 17

Author(s):

Vasilios I. Teberekidis ◽

Ioannis S. K. Kerkines ◽

Constantinos A. Tsipis ◽

Petr ?�rsky ◽

Aristides Mavridis

Keyword(s):

Configuration Interaction ◽

Ground States ◽

Coupled Cluster ◽

Interaction Study

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A multireference configuration interaction study of the hyperfine structure of the molecules CCO, CNN, and NCN in their triplet ground states

The Journal of Chemical Physics ◽

10.1063/1.468262 ◽

1994 ◽

Vol 101 (9) ◽

pp. 7686-7691 ◽

Cited By ~ 35

Author(s):

H. U. Suter ◽

M.‐B. Huang ◽

B. Engels

Keyword(s):

Hyperfine Structure ◽

Configuration Interaction ◽

Ground States ◽

Interaction Study

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A coupled cluster and full configuration interaction study of CN and CN−

Chemical Physics Letters ◽

10.1016/j.cplett.2004.06.001 ◽

2004 ◽

Vol 393 (1-3) ◽

pp. 36-43 ◽

Cited By ~ 30

Author(s):

Lea Thøgersen ◽

Jeppe Olsen

Keyword(s):

Configuration Interaction ◽

Coupled Cluster ◽

Interaction Study ◽

Full Configuration Interaction

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Interaction of acetonitrile with alkaline metal cations: A density functional, coupled-cluster, and quadratic configuration interaction study

International Journal of Quantum Chemistry ◽

10.1002/qua.10022 ◽

2002 ◽

Vol 86 (4) ◽

pp. 356-367 ◽

Cited By ~ 19

Author(s):

Ljup?o Pejov

Keyword(s):

Configuration Interaction ◽

Density Functional ◽

Metal Cations ◽

Coupled Cluster ◽

Alkaline Metal ◽

Interaction Study

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Coupled-cluster and multireference configuration interaction study of the low-lying excited states of the H2O2-H2O complex

The Journal of Chemical Physics ◽

10.1063/1.4769284 ◽

2012 ◽

Vol 137 (21) ◽

pp. 214312 ◽

Cited By ~ 6

Author(s):

Roberto Linguerri ◽

Joseph S. Francisco

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Coupled Cluster ◽

Interaction Study

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Coupled Cluster Theory and Multireference Configuration Interaction Study of FO, F2O, FO2, and FOOF

The Journal of Physical Chemistry A ◽

10.1021/jp030267v ◽

2003 ◽

Vol 107 (45) ◽

pp. 9641-9651 ◽

Cited By ~ 53

Author(s):

David Feller ◽

David A. Dixon

Keyword(s):

Configuration Interaction ◽

Coupled Cluster ◽

Interaction Study ◽

Coupled Cluster Theory ◽

Cluster Theory

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Spin-orbit-resolved static polarizabilities of group-13 atoms: Four-component relativistic configuration interaction and coupled cluster calculations

Physical Review A ◽

10.1103/physreva.72.052506 ◽

2005 ◽

Vol 72 (5) ◽

Cited By ~ 27

Author(s):

Timo Fleig

Keyword(s):

Configuration Interaction ◽

Coupled Cluster ◽

Spin Orbit ◽

Group 13 ◽

Cluster Calculations ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Coupled Cluster Calculations

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Configuration Interaction Study of the Low-Lying Electronic States of Silicon Monoxide

The Journal of Physical Chemistry A ◽

10.1021/jp021845v ◽

2003 ◽

Vol 107 (1) ◽

pp. 148-158 ◽

Cited By ~ 12

Author(s):

Surya Chattopadhyaya ◽

Anjan Chattopadhyay ◽

Kalyan Kumar Das

Keyword(s):

Configuration Interaction ◽

Electronic States ◽

Silicon Monoxide ◽

Interaction Study

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Spin–orbit coupling and electron correlation in relativistic configuration interaction and coupled-cluster methods

Chemical Physics ◽

10.1016/j.chemphys.2011.05.002 ◽

2012 ◽

Vol 395 ◽

pp. 115-121 ◽

Cited By ~ 24

Author(s):

Inkoo Kim ◽

Young Choon Park ◽

Hyungjun Kim ◽

Yoon Sup Lee

Keyword(s):

Configuration Interaction ◽

Electron Correlation ◽

Orbit Coupling ◽

Coupled Cluster ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Coupled Cluster Methods ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Cluster Methods

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Complete-active-space self-consistent-field and contracted configuration-interaction study of the electron correlation in Ne,F−,Ne+, and F

Physical Review A ◽

10.1103/physreva.26.1192 ◽

1982 ◽

Vol 26 (3) ◽

pp. 1192-1199 ◽

Cited By ~ 15

Author(s):

Björn O. Roos ◽

Andrzej J. Sadlej ◽

Per E. M. Siegbahn

Keyword(s):

Configuration Interaction ◽

Electron Correlation ◽

Interaction Study ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Self‐consistent intermediate Hamiltonians: A coupled cluster type formulation of the singles and doubles configuration interaction matrix dressing

The Journal of Chemical Physics ◽

10.1063/1.469680 ◽

1995 ◽

Vol 103 (7) ◽

pp. 2576-2588 ◽

Cited By ~ 42

Author(s):

I. Nebot‐Gil ◽

J. Sánchez‐Marín ◽

J. P. Malrieu ◽

J. L. Heully ◽

D. Maynau

Keyword(s):

Configuration Interaction ◽

Interaction Matrix ◽

Coupled Cluster ◽

Self Consistent ◽

Cluster Type ◽

Intermediate Hamiltonians

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