✦ LIBER ✦
Adiabatic-to-diabatic electronic state transformation and curvilinear nuclear coordinates for molecular systems
✍ Scribed by Xavier Chapuisat; André Nauts; Dominique Dehareng-Dao
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 416 KB
- Volume
- 95
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Following an original idea of Bacr, since then several times applied to various small molecular collisional systems. it is shown that -whatever the choice of Curvilinear generalized coordinates to describe the molecular gometry and owxall rotation -the algebraic fmmework proposed by Baer remains valid provided only that the esnct tensorhl expression of the kinetic energy operator is used.