Density matrix renormalization group pair-density functional theory (DMRG-PDFT): singlet–triplet gaps in polyacenes and polyacetylenes
Keyword(s):
The density matrix renormalization group (DMRG) is a powerful method to treat static correlation.
2019 ◽
Vol 15
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pp. 938-948
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2015 ◽
Vol 142
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pp. 189901
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2015 ◽
Vol 142
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pp. 044111
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2007 ◽
Vol 21
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pp. 2564-2575
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2006 ◽
Vol 125
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pp. 144101
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1995 ◽
Vol 28
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pp. 2109-2119
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