Excitation energies for transition metal compounds from time-dependent density funtional theory. Applications to MnO4-, Ni(CO)4 and Mn2(CO)10.

S.J.A. van Gisbergen, J.A. Groeneveld, A. Rosa, J.G. Snijders, E.J. Baerends

Research output: Contribution to JournalArticleAcademicpeer-review

Original languageEnglish
Pages (from-to)6835-6844
JournalThe Journal of Physical Chemistry A
Issue number34
Publication statusPublished - 1999

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