๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Cluster expansions for the correlated basis functions theory

โœ Scribed by R. Guardiola


Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
760 KB
Volume
384
Category
Article
ISSN
0375-9474

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Nonorthogonality corrections in the meth
โœ Eugene Feenberg ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 472 KB

A set of normalized linearly independent basis functions @I) 0, ,..., Q5 ,... generates matrix representatives 2' and Jfr of the Hamiltonian operator and the identity. An orthonormal basis #, , & ,..., 6, ,... generated by a Lijwdin transformation is characterized by the distance in Hilbert space be

Cluster expansion of the wavefunction. P
โœ H. Nakatsuji; K. Hirao ๐Ÿ“‚ Article ๐Ÿ“… 1977 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 245 KB

We have discussed the utility of the cluster expansion of the wavefunction and proposed a pseudo+rbital theory which constitutes a generalization of the orbital-theoretic idea It has been applied to the calculation of spin densities of the fustrow atoms. The results are encouraging in comparison wit