๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Multiconfiguration coupled-cluster calculations for excited electronic states: Applications to model systems

โœ Scribed by Ajit Banerjee; Jack Simons

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
696 KB
Volume
87
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Applicability of single-reference couple
Applicability of single-reference coupled-cluster methods to excited states. A model study
โœ J. Jankowski; K. Kowalski; P. Jankowski ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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

Distributed basis sets of s-type Gaussia
Distributed basis sets of s-type Gaussian functions for molecular electronic structure calculations: Applications of the Gaussian cell model to one-electron polycentric linear molecular systems
โœ S. Wilson ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 799 KB

## I A particular formulation of the distributed Gaussian basis-set approach, the extended Gaussian cell model, is applied to the simplest polycentric molecule, the linear H:+ ion. Calculations of the total energy using two extensions of the original Gaussian cell model are described and results a