Direct selected configuration interaction using a hole-particle formalism

Chemical Physics Letters

Volumn 188, Issue 5-6, 1992, Pages 543-549

  Caballol, Rosa ^a   Malrieu, Jean Paul ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITÉ PAUL SABATIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001071893     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(92)80863-7     Document Type: Article

References (42)

1. Full CI calculations on BH, H2O, NH3, and HF
2. Benchmark full configuration-interaction calculations on HF and NH2
3. An application of perturbation theory ideas in configuration interaction calculations
4. Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions
5. Approximate natural orbitals and the convergence of a second order multireference many-body perturbation theory (CIPSI) algorithm
6. A. Povill, J. Rubio and F. Illas, Theoret. Chim. Acta, in press.
7. Coupled Cluster Approach
8. Configuration interaction calculations on the nitrogen molecule
9. Recent advances in multireference second order perturbation CI: The CIPSI method revisited