Generation of symmetry-adapted functions for molecular calculations
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | Skála, Lubomír |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 1981
|
| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/zddwdtgttk |
Daftar Isi:
- Title of program: SYMMET Catalogue Id: AAPD_v1_0 Nature of problem The group theory is used for the classification of energy states of molecules and the transformation of the eigenvalue problem to a quasidiagonal form. Versions of this program held in the CPC repository in Mendeley Data AAPD_v1_0; SYMMET; 10.1016/0010-4655(81)90087-4 AAPD_v2_0; SYMMET VERSION 2; 10.1016/0010-4655(90)90068-C This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)