๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A new internally contracted multi-reference configuration interaction method

โœ Scribed by Shamasundar, K. R.; Knizia, Gerald; Werner, Hans-Joachim

Book ID
118119916
Publisher
American Institute of Physics
Year
2011
Tongue
English
Weight
700 KB
Volume
135
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

A new configuration selection method for
A new configuration selection method for configuration interaction calculations
โœ L. Visscher; H. DeRaedt; W.C. Nieuwpoort ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 894 KB

The recently proposed stochastic diagonalization method is applied to the ab initio quantum chemistry configuration interaction problem. In this context it can be viewed as a multi-reference CI method with dynamic selection of important configurations. The method is compared with other methods and t