ISSN:
1432-2234
Keywords:
UHF spin densities
;
CI method for improving ∼
;
Spin densities, UHF ∼
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Limited Configuration Interaction wave functions based on Unrestricted Hartree-Fock natural orbitals are found to be easy to compute and to give much more satisfactory spin densities than are provided by techniques currently in use.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00549092
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