Calculations for doubly-excited states populated in two-electron processes
β Scribed by J. E. Hansen; H. van der Hart; M. Landtman; Y. -T. Shen; N. Vaeck
- Publisher
- Springer
- Year
- 1991
- Tongue
- English
- Weight
- 557 KB
- Volume
- 21
- Category
- Article
- ISSN
- 1434-6060
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π SIMILAR VOLUMES
The problem of determining SCF wave functions for excited electronic states is examined for singlet states of two-electron systems using a Lowdin natural orbital transformation of the full CI wave function. This analysis facilitates the comparison of various SCF methods with one another. The distrib
A procedure for pre-processing 3 random list of two-electron integrals is descrikd. Construction of Fock-matrices with the resulting PR-file is shown to be three times faster than use of n file containing the random two-eIection integrals, indices, and a branching code. An important rate-determinin