The valence-bond scf (VB SCF) method. Synopsis of theory and test calculation of oh potential energy curve

Chemical Physics Letters

Volumn 76, Issue 1, 1980, Pages 138-142

  Van Lenthe, J H ^a   Balint Kurti, G G ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001044647     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(80)80623-3     Document Type: Article

References (23)

1. Modern theoretical chemistry
2. MC-SCF. I. The multi-configuration self-consistent-field method
3. Generalized brillouin theorem for multiconfigurationalSCF theories
4. Convergence behavior of some multiconfiguration methods
5. MCSCF optimization through combined use of natural orbitals and the brillouin-levy-berthier theorem
6. Modern theoretical chemistry
7. MULTIBOND (Version A), Ab Initio Multi-Structure Valence-Bond Calculational System
8. Modern theoretical chemistry
9. Spin-Coupled Theory of Molecular Wavefunctions: Applications to the Structure and Properties of LiH(XFormula), BH(XFormula), LiFormula(XFormula) and HF(XFormula)
10. Study of the ground state potential curve and dipole moment of OH by the method of optimized valence configurations