期刊
JOURNAL OF CHEMICAL PHYSICS
卷 142, 期 22, 页码 -出版社
AIP Publishing
DOI: 10.1063/1.4922295
关键词
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资金
- Villum foundation
- ETH Zurich
- Schweizer Nationalfonds (SNF) [200021L_156598]
- Danish Council for Independent Research \ Natural Sciences [12-127074]
We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electroncorrelation effects in multiconfigurational electronic structure problems. (C) 2015 AIP Publishing LLC.
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