Full configuration interaction for the π-electronic model of benzene. II. Correlation energy and low lying singlet excitation energies

Correlation Energy ◽

Excitation Energies ◽

Electronic Model

Triplet excitation energies in full configuration interaction and coupled-cluster theory

10.1063/1.1386415 ◽

2001 ◽

Vol 115 (7) ◽

pp. 3015-3020 ◽

Cited By ~ 60

Author(s):

Helena Larsen ◽

Kasper Hald ◽

Jeppe Olsen ◽

Poul Jørgensen

Keyword(s):

Coupled Cluster ◽

Excitation Energies ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Triplet Excitation ◽

Excitation energies in Be: A comparison of multiconfigurational linear response and full configuration interaction calculations

10.1063/1.451436 ◽

1986 ◽

Vol 85 (11) ◽

pp. 6544-6549 ◽

Cited By ~ 89

Author(s):

Richard L. Graham ◽

Danny L. Yeager ◽

Jeppe Olsen ◽

Poul Jo/rgensen ◽

Robert Harrison ◽

...

Keyword(s):

Linear Response ◽

Excitation Energies ◽

Configuration Interaction Calculations

Excitation energies, transition moments and dynamic polarizabilities for CH+. A comparison of multiconfigurational linear response and full configuration interaction calculations

Chemical Physics Letters ◽

10.1016/0009-2614(89)85373-4 ◽

1989 ◽

Vol 154 (4) ◽

pp. 380-386 ◽

Cited By ~ 96

Author(s):

Jeppe Olsen ◽

Alfredo M.Sánchez De Meŕas ◽

Hans Jørgen Aa. Jensen ◽

Poul Jørgensen

Keyword(s):

Linear Response ◽

Excitation Energies ◽

Transition Moments ◽

Configuration Interaction Calculations ◽

Dynamic Polarizabilities

Electron excitation energies using a consistent third-order propagator approach: Comparison with full configuration interaction and coupled cluster results

10.1063/1.1504708 ◽

2002 ◽

Vol 117 (14) ◽

pp. 6402-6410 ◽

Cited By ~ 89

Author(s):

A. B. Trofimov ◽

G. Stelter ◽

J. Schirmer

Keyword(s):

Electron Excitation ◽

Coupled Cluster ◽

Excitation Energies ◽

Third Order ◽

Accurate ab initio potential energy curve of O2. I. Nonrelativistic full configuration interaction valence correlation by the correlation energy extrapolation by intrinsic scaling method

10.1063/1.3298373 ◽

2010 ◽

Vol 132 (7) ◽

pp. 074109 ◽

Cited By ~ 26

Author(s):

Laimutis Bytautas ◽

Klaus Ruedenberg

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Curve ◽

Correlation Energy ◽

Energy Curve ◽

Scaling Method ◽

Energy Extrapolation

Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction

10.1063/1.4942770 ◽

2016 ◽

Vol 144 (9) ◽

pp. 094112 ◽

Cited By ~ 13

Author(s):

James J. Shepherd ◽

Thomas M. Henderson ◽

Gustavo E. Scuseria

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Correlation Energy ◽

Coupled Cluster ◽

Energy Equivalence

Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory

Chemical Physics Letters ◽

10.1016/0009-2614(96)00394-6 ◽

1996 ◽

Vol 256 (1-2) ◽

pp. 185-194 ◽

Cited By ~ 199

Author(s):

Ove Christiansen ◽

Henrik Koch ◽

Poul Jørgensen ◽

Jeppe Olsen

Keyword(s):

Coupled Cluster ◽

Excitation Energies ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Full configuration interaction for the π-electronic model of benzene. I. General expressions for singlets

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19710599 ◽

1971 ◽

Vol 36 (2) ◽

pp. 599-617 ◽

Cited By ~ 30

Author(s):

J. Čížek ◽

J. Paldus ◽

L. Šroubková ◽

J. Vojtík

Keyword(s):

Electronic Model

Accurate full configuration interaction correlation energy estimates for five- and six-membered rings

10.1063/5.0065314 ◽

2021 ◽

Vol 155 (13) ◽

pp. 134104

Author(s):

Yann Damour ◽

Mickaël Véril ◽

Fábris Kossoski ◽

Michel Caffarel ◽

Denis Jacquemin ◽

...

Keyword(s):

Correlation Energy ◽

Energy Estimates ◽

Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models

Chemical Physics Letters ◽

10.1016/0009-2614(95)00914-p ◽

1995 ◽

Vol 244 (1-2) ◽

pp. 75-82 ◽

Cited By ~ 190

Author(s):

Henrik Koch ◽

Ove Christiansen ◽

Poul Jørgensen ◽

Jeppe Olsen

Keyword(s):

Cluster Models ◽

Coupled Cluster ◽

Excitation Energies ◽