On the evaluation of nonadiabatic coupling matrix elements for MCSCF/CI wave functions using analytic derivative methods. III. Second derivative terms
- 作者Lengsfield, Byron H.; Yarkony, David R.
- 卷第84卷
- 期第1期
- 印刷ISSN0021-9606
- 文件大小670.50KB
- 发表时间1986
- DOI10.1063/1.450144
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