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Improved definition of bond orders for correlated wave functions

✍ Scribed by Mayer, I.

Book ID
123538235
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
212 KB
Volume
544
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

First-order correlation orbitals for the
First-order correlation orbitals for the MCSCF zeroth-order wave function
✍ Andrzej LeΕ›; Ludwik Adamowicz πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 581 KB

The originally proposed first-order correlation orbital method (L. Adamowicz and R.J. Bartlett, J. Chem. Phys. 86 ( 1987) 63 14) has been extended in order to include the MCSCF zeroth-order wave function. The present method is based on the perturbation theory with the zeroth-order Hamiltonian sugges

Product of group-function expansions for
Product of group-function expansions for correlated wave functions
✍ E. L. Mehler πŸ“‚ Article πŸ“… 1973 πŸ› John Wiley and Sons 🌐 English βš– 320 KB

## Abstract A theorem is proved which demonstrates the relationship between a product of group functions describing the correlated motion of a particular group of electrons in an __N__‐electron system and a wave function obtained from the exact wave function which describes the correlation of the s