各位老师好,科音基础量化班中有一页PPT讲了一个计算激发能的公式,如下图,请问有相关文献吗,在写文章,想要引用一下,但是不知道这个公式的出处 作者Author: ziyonchen2 时间: 2025-3-1 10:48
Foresman, J. B.; Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Toward a Systematic Molecular Orbital Theory for Excited States. J. Phys. Chem. 1992, 96 (1), 135–149. https://doi.org/10.1021/j100180a030作者Author: yangjunfang 时间: 2025-3-1 16:12
ziyonchen2 发表于 2025-3-1 10:48
Foresman, J. B.; Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Toward a Systematic Molecular Orbital ...