On the evaluation of nonadiabatic coupling matrix elements using SA-MCSCF/CI wave functions and analytic gradient methods. I
Lengsfield, Byron H.; Saxe, Paul; Yarkony, David R.
- 作者Lengsfield, Byron H.; Saxe, Paul; Yarkony, David R.
- 卷第81卷
- 期第10期
- 印刷ISSN0021-9606
- 文件大小620.78KB
- 发表时间1984
- DOI10.1063/1.447428