Relative energy of the high-(T2g5) and low-(A1g1) spin states of the ferrous complexes [Fe(L)(NHS4)]: CASPT2 versus density functional theory

标题
Relative energy of the high-(T2g5) and low-(A1g1) spin states of the ferrous complexes [Fe(L)(NHS4)]: CASPT2 versus density functional theory
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 128, Issue 3, Pages 034104
出版商
AIP Publishing
发表日期
2008-01-19
DOI
10.1063/1.2820786

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