Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: Geometry optimization and spin-state energetics of a ruthenium nitrosyl complex
出版年份 2014 全文链接
标题
Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: Geometry optimization and spin-state energetics of a ruthenium nitrosyl complex
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 140, Issue 17, Pages 174103
出版商
AIP Publishing
发表日期
2014-05-06
DOI
10.1063/1.4873349
参考文献
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