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Method of the orthonormality-constrained variation

โœ Scribed by Tetsuo Morikawa

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
236 KB
Volume
32
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES

Method of the orthonormality-constrained
Method of the orthonormality-constrained variation
โœ Tetsuo Morikawa ๐Ÿ“‚ Article ๐Ÿ“… 1972 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 205 KB

A method for carrying out the variation subject to the orthonormality conditions is described, which is an alternative to the method of Lagrange multipliers used for the derivation of the Hartee-Fock equations An application to some types of atomic and molecclar systems is also described.

Some aspects of new orthonormality-const
Some aspects of new orthonormality-constrained orbital optimisation technique
โœ Sankar Prasad Bhattacharyya; Debashis Mukherjee ๐Ÿ“‚ Article ๐Ÿ“… 1979 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 490 KB

The performance of a orthonorm.dity-constrained orbrtal optlmation procedure has been inrestigated in its one-configuration limit snd compared with that of the traditionzd method of Roothxm. An inrrinsic superiority of the method is manifested ia the achierement of smooth .md stable optimisation ele

Constrained variation in Jastrow method
Constrained variation in Jastrow method at high density
โœ J.C Owen; R.F Bishop; J.M Irvine ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 994 KB

A method is derived for constraining the correlation function in a Jastrow variational calculation which permits the truncation of the cluster expansion after two-body terms, and which permits exact minimization of the two-body cluster by functional variation. This method is compared with one previo