Implementation of analytic gradients for CCSD and EOM-CCSD using Cholesky decomposition of the electron-repulsion integrals and their derivatives: Theory and benchmarks
出版年份 2019 全文链接
标题
Implementation of analytic gradients for CCSD and EOM-CCSD using Cholesky decomposition of the electron-repulsion integrals and their derivatives: Theory and benchmarks
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 151, Issue 1, Pages 014110
出版商
AIP Publishing
发表日期
2019-07-03
DOI
10.1063/1.5100022
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