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Use of the chemical potential to improve energies from approximate wave functions

✍ Scribed by Ralph G. Pearson


Publisher
Springer
Year
1991
Tongue
English
Weight
217 KB
Volume
78
Category
Article
ISSN
1432-2234

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The analysis of the Brillouin conditions in a chain of groups is used to Ε½ . Ε½ . explain why self-consistent field SCF , multiconfigurational SCF MCSCF , or Ε½ . configuration interaction CI methods can lead to an unbalanced description of the potential energy hypersurfaces along symmetry-broken path