Self-consistent molecular Hartree-Fock-Slater calculations I. The computational procedure

Chemical Physics

Volumn 2, Issue 1, 1973, Pages 41-51

  Baerends, E J ^a   Ellis, D E ^a   Ros, P ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0038023343     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(73)80059-X     Document Type: Article

References (35)

1. “Multiple-scattering” (green's function) model for polyatomic molecules II. Theory
2. Use of Linear Nonsymmetric Eigenvalue Equations for a Sum‐over‐Points Approach: Application to H2+
3. A method for numerical integration
4. Tables of atomic functions
5. Some Bilinear Convergence Characteristics of the Solutions of Dissymmetric Secular Equations
6. Interatomic distances
7. Interatomic distances
8. Total Energy in the Multiple Scattering Formalism: Application to the Water Molecule
9. Note on the Separability Theorem for Electron Pairs
10. A Quantum-Mechanical Study of the Water Molecule