Time-dependent density functional theory calculations for core-excited states: assessment of standard exchange-correlation functionals and development of a novel hybrid functional期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Time-dependent density functional theory calculations for core-excited states: assessment of standard exchange-correlation functionals and development of a novel hybrid functional

Authors:	Nakata Ayako Imamura Yutaka Otsuka Takao Nakai Hiromi

Affiliation:	Department of Chemistry, School of Science and Engineering, Waseda University, Tokyo 169-8555, Japan.

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