Systematic design of active spaces for multi-reference calculations of singlet–triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data
出版年份 2017 全文链接
标题
Systematic design of active spaces for multi-reference calculations of singlet–triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 147, Issue 16, Pages 164120
出版商
AIP Publishing
发表日期
2017-10-31
DOI
10.1063/1.4998256
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