๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A density matrix approach to multiconfiguration calculations

โœ Scribed by John E. Harriman


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
386 KB
Volume
5
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Frozen density matrix approach for elect
โœ Tai-Sung Lee; Weitao Yang ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 151 KB

A frozen density matrix approach for determining local geometry changes of large molecules is proposed based on the density matrix divide-and-conquer method. This approach divides a large molecule into a small active part and the rest as ลฝ . the frozen part. After a single-point self-consistent fiel