๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A spin-free form of valence bond theory

โœ Scribed by Roy McWeeny

Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
723 KB
Volume
34
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

An ab initio form of classical valence-b
An ab initio form of classical valence-bond theory
โœ Roy McWeeny ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 181 KB ๐Ÿ‘ 2 views

In this work the classical valence-bond VB theory of the 1930s is recast ลฝ . in a fully ab initio modern form. The basic premises are simply i that valency is associated with singly occupied orbitals on the constituent atoms of a molecule, more ลฝ . tightly bound electrons being assigned to a ''core,

Efficient algorithm for the spin-free va
Efficient algorithm for the spin-free valence bond theory. I. New strategy and primary expressions
โœ Wei Wu; Anan Wu; Yirong Mo; Menghai Lin; Qianer Zhang ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 184 KB ๐Ÿ‘ 2 views

A new algorithm for nonorthogonal valence bond VB method is presented by using symmetric group approach. In the present algorithm, a new function, ลฝ . called paired-permanent-determinant PPD , is defined, which is an algebrant and has the same symmetry of a corresponding VB structure. The evaluation

Many-body valence-bond theory
Many-body valence-bond theory
โœ D. J. Klein; H. Zhu; R. Valenti; M. A. Garcia-Bach ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 286 KB ๐Ÿ‘ 2 views