Symmetry adaptation of correlated states in the valence bond basis


Autoria(s): Ramasesha, S; Soos, ZG
Data(s)

01/03/1993

Resumo

Symmetry?adapted linear combinations of valence?bond (VB) diagrams are constructed for arbitrary point groups and total spin S using diagrammatic VB methods. VB diagrams are related uniquely to invariant subspaces whose size reflects the number of group elements; their nonorthogonality leads to sparser matrices and is fully incorporated into a binary integer representation. Symmetry?adapated linear combinations of VB diagrams are constructed for the 1764 singlets of a half?filled cube of eight sites, the 2.8 million ??electron singlets of anthracene, and for illustrative S?0 systems.

Formato

application/pdf

Identificador

http://eprints.iisc.ernet.in/35852/1/Symmetry.pdf

Ramasesha, S and Soos, ZG (1993) Symmetry adaptation of correlated states in the valence bond basis. In: Journal of Chemical Physics, The, 98 (5). pp. 4015-4022.

Publicador

American Institute of Physics

Relação

http://jcp.aip.org/resource/1/jcpsa6/v98/i5/p4015_s1

http://eprints.iisc.ernet.in/35852/

Palavras-Chave #Solid State & Structural Chemistry Unit
Tipo

Journal Article

PeerReviewed