𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An extension of the coupled cluster formalism to excited states (I)

✍ Scribed by K. Emrich

Book ID
107981924
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
1019 KB
Volume
351
Category
Article
ISSN
0375-9474

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Applicability of single-reference couple
Applicability of single-reference coupled-cluster methods to excited states. A model study
✍ J. Jankowski; K. Kowalski; P. Jankowski πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 637 KB

It is demonstrated that standard single-reference coupled-cluster @R-CC) theories can be successfully applied to the studies of some excited states not belonging to the lowest energy in their symmetry class. The prerequisite of such applications is that a proper reference state configuration and orb

An application of the equation-of-motion
An application of the equation-of-motion coupled cluster method to the excited states of formaldehyde, acetaldehyde, and acetone
✍ Steven R. Gwaltney; Rodney J. Bartlett πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 628 KB

The equation-of-motion coupled cluster method is used to describe the electronic excitation spectra of the model carbonyl compounds, formaldehyde, acetaldehyde, and acetone. For the first few valence states and for the n = 3 Rydberg states, the average error for the vertical excitation energies is 0