Mono- and multireference Moller-Plesset computation of the electron affinity. A full configuration interaction analysis on first-row atoms and their hydrides

1991 ◽  
Vol 95 (8) ◽  
pp. 3096-3105 ◽  
Author(s):  
Juan J. Novoa ◽  
Fernando Mota ◽  
Ferran Arnau
Keyword(s):  
Electron Affinity ◽  
Configuration Interaction ◽  
Interaction Analysis ◽  
Full Configuration Interaction ◽  
Moller Plesset

Erratum: Pseudospectral full configuration interaction [J. Chem. Phys. 97, 1876 (1992)]

1993 ◽  
Vol 99 (5) ◽  
pp. 4238-4238 ◽  
Author(s):  
Todd J. Martinez ◽  
Aseem Mehta ◽  
Emily A. Carter
Keyword(s):  
Configuration Interaction ◽  
Chem Phys ◽  
Full Configuration Interaction

Toward Full Configuration Interaction for Transition-Metal Complexes

2021 ◽  
Vol 125 (7) ◽  
pp. 1598-1609
Author(s):  
Alan E. Rask ◽  
Paul M. Zimmerman
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Configuration Interaction ◽  
Full Configuration Interaction

Full configuration interaction for the benzyl radical

1970 ◽  
Vol 4 (1) ◽  
pp. 73-87 ◽  
Author(s):  
V. A. Kuprievich ◽  
Yuri A. Kruglyak ◽  
E. V. Mozdor
Keyword(s):  
Configuration Interaction ◽  
Full Configuration Interaction ◽  
Benzyl Radical

Validation of the Ability of Full Configuration Interaction Quantum Monte Carlo for Studying the 2D Hubbard Model

2017 ◽  
Vol 34 (8) ◽  
pp. 080201
Author(s):  
Su-Jun Yun ◽  
Tie-Kuang Dong ◽  
Shi-Ning Zhu
Keyword(s):  
Monte Carlo ◽  
Hubbard Model ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Full Configuration Interaction

Very large full configuration interaction calculations

1989 ◽  
Vol 155 (6) ◽  
pp. 513-517 ◽  
Author(s):  
Peter J. Knowles
Keyword(s):  
Configuration Interaction ◽  
Full Configuration Interaction ◽  
Configuration Interaction Calculations

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

2001 ◽  
Vol 115 (7) ◽  
pp. 3015-3020 ◽  
Author(s):  
Helena Larsen ◽  
Kasper Hald ◽  
Jeppe Olsen ◽  
Poul Jørgensen
Keyword(s):  
Configuration Interaction ◽  
Coupled Cluster ◽  
Excitation Energies ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Triplet Excitation ◽  
Full Configuration Interaction

scholarly journals Relativistic full-configuration-interaction calculations of magic wavelengths for the 2  3S1→2   1S0 transition of helium isotopes

2018 ◽  
Vol 98 (4) ◽  
Author(s):  
Fang-Fei Wu ◽  
San-Jiang Yang ◽  
Yong-Hui Zhang ◽  
Jun-Yi Zhang ◽  
Hao-Xue Qiao ◽  
...  
Keyword(s):  
Configuration Interaction ◽  
Helium Isotopes ◽  
Full Configuration Interaction ◽  
Configuration Interaction Calculations
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