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The missing charge problem in the longitudinal response and the importance of two-particle-two-holes states

✍ Scribed by J. Jaenicke; P. Schuck; R.W. Hasse


Book ID
113353863
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
342 KB
Volume
214
Category
Article
ISSN
0370-2693

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On the SCF calculation of excited states
✍ Mary McCourt; James W. McIver Jr. πŸ“‚ Article πŸ“… 1987 πŸ› John Wiley and Sons 🌐 English βš– 484 KB πŸ‘ 1 views

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