A MCSCF method for ground and excited states based on full optimizations of successive Jacobi rotations
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference38 articles.
1. ; In Quantum Science; ; ; ; Eds.; Plenum Press: New York, 1976; p 505;
2. Electronic rearrangements during chemical reactions. II. Planar dissociation of ethylene
3. Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model
4. Are atoms sic to molecular electronic wavefunctions? II. Analysis of fors orbitals
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