The averaged coupled-pair functional (ACPF): A size-extensive modification of MR CI(SD)

Chemical Physics Letters

Volumn 143, Issue 5, 1988, Pages 413-420

  Gdanitz, Robert J ^a   Ahlrichs, Reinhart ^a  

^a UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0344628184     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(88)87388-3     Document Type: Article

References (37)

1. Direct configuration interaction with a reference state composed of many reference configurations
2. Analytic gradients from correlated wave functions via the two-particle density matrix and the unitary group approach
3. Derivative studies in configuration–interaction theory
4. Theoretical models incorporating electron correlation
5. A semi-empiricalMO theory for ionization potentials and electron affinities
6. Many-body perturbation theory, coupled-pair many-electron theory, and the importance of quadruple excitations for the correlation problem
7. Configuration interaction calculations on the nitrogen molecule
8. Davidson-type corrections for quasidegenerate states
9. The description of N2 and F2 potential energy surfaces using multireference coupled cluster theory
10. Configuration Interaction in Orbital Theories
11. Implementation of an electronic structure program system on the CYBER 205
12. The electronic spectrum of F2