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The relation between the geminal method and the multi-configuration SCF approach

โœ Scribed by S.Y. Chu


Book ID
103011645
Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
205 KB
Volume
7
Category
Article
ISSN
0009-2614

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โœฆ Synopsis


The relationship between the MC SCF method and the Geminai method arc discussed in this paper_

Both methods surpass the Bartree-Fock limit lx takinc into account the intmoair correlation.

A ecminal wavefunction can be identified as the MC SC-F wavefunction plus higher.&er terms.

Strung &hogonality of the geminnl model is justified in terms of the MC SCF formalism.

The localized orhitnls that are the characteristic of the gcminnl model also appear in the MC SCF wavefunction.


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