๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Quantum mechanics and integration in Hilbert space

โœ Scribed by A. Bach


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
157 KB
Volume
73
Category
Article
ISSN
0375-9601

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Integrating quantum and molecular mechan
โœ Harrison, Robert W. ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 284 KB ๐Ÿ‘ 1 views

A computer algorithm is developed for integrating density functional quantum mechanics into a molecular mechanics program. The ลฝ computationally infeasible aspects of the standard LCAO-MO approach the iterative calculation of eigenvectors and the requirement of orthogonal . expansions for the orbita