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A unitary model for independent cluster production

✍ Scribed by E.H. De Groot; Th.W. Ruijgrok


Book ID
116141258
Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
937 KB
Volume
101
Category
Article
ISSN
0550-3213

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πŸ“œ SIMILAR VOLUMES


Analytical energy gradients for a unitar
✍ Mark R. Hoffmann; Jack Simons πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 350 KB

Our recently developed and tested unitary multiconfigurational coupled-cluster electronic wavefunction method is extended to permit, for the first time, the analytical evaluation of energy derivatives. The unitary nature of this method admits a variational energy functional whose stationary nature p