Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
13 (1978), S. 189-198
ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
We consider the “Hartree Problem,” here defined as the problem of finding the orthogonal one-electron states which in a single determinant minimize the electronic energy, excluding exchange contributions. These states may provide a useful basis for correlation-energy studies. It is shown how the “Hartree Problem,” although superficially not of pseudoeigenvalue form, can nevertheless be cast in such a form and solved by an iterative diagonalization process.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560130204
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