Improvements on the direct SCF method

Journal of Computational Chemistry

Volumn 10, Issue 1, 1989, Pages 104-111

  Häser, Marco ^a   Ahlrichs, Reinhart ^a  

^a UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84988137816     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.540100111     Document Type: Article

References (15)

1. The Molecular Orbital Theory of Chemical Valency. VIII. A Method of Calculating Ionization Potentials
2. Principles for a directSCF approach toLICAO-MOab-initio calculations
3. Convergence acceleration of iterative sequences. the case of scf iteration
4. An unconventional scf method for calculations on large molecules
5. Integral evaluation algorithms and their implementation
6. Molecular symmetry and closed-shellSCF calculations. I
7. Use of molecular symmetry inSCF calculations