ISSN:
1432-2234
Keywords:
SCF-Theory
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The variational conditions for the orbitals of general multiconfigurational SCF wave functions are coupled in a unique way to construct a one-electron Hamiltonian with which one can determine all the occupied orbitals. Properties and application of the one-electron Hamiltonian in the relativistic framework are also discussed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00556161
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