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Analytical energy gradients for multiconfiguration self-consistent field wave functions with frozen core orbitals
Busch, Thilo, Esposti, Alessandra Degli, Werner, Hans-JoachimVolume:
94
Year:
1991
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.460247
File:
PDF, 867 KB
english, 1991