ZIB

Treffer pro Seite

Treffer 1 - 1 | 1 Treffer

Sortierung

Digitale Medien

Multireference coupled cluster theory in Fock space (1991)

Rittby, C. M. L. ; Bartlett, R. J.

Springer

Theoretical chemistry accounts 80 (1991), S. 469-482

zur Merkliste hinzufügen auf der Merkliste

Details

ISSN: 1432-2234

Schlagwort(e): Coupled cluster method ; Incomplete models spaces ; Electronic transition energies

Quelle: Springer Online Journal Archives 1860-2000

Thema: Chemie und Pharmazie

Notizen: Summary A Fock space multireference coupled cluster method based on incomplete model spaces is described. Some of the essential computational aspects of the theory are discussed with the aid of the diagrammatic representation of the equations. An application to the calculation of ionization potentials and excitation energies ofs-tetrazine is presented along with comparisons with conventionalab initio calculations and experimental results.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1007/BF01119666

Permalink

Bibliothek	Standort	Signatur	Band/Heft/Jahr	Verfügbarkeit

Andere fanden auch interessant ...

Artikel (Nationallizenzen)

Volltext

Treffer 1 - 1 | 1 Treffer