A cross-entropy corrected hybrid multiconfiguration pair-density functional theory for complex molecular systems.
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| Title: | A cross-entropy corrected hybrid multiconfiguration pair-density functional theory for complex molecular systems. |
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| Authors: | Feng R; Shanghai Key Laboratory of Molecular Catalysis and Innovation Materials, Collaborative Innovation Centre of Chemistry for Energy Materials, MOE Laboratory for Computational Physical Science, Department of Chemistry, Fudan University, Shanghai, China., Zhang IY; Shanghai Key Laboratory of Molecular Catalysis and Innovation Materials, Collaborative Innovation Centre of Chemistry for Energy Materials, MOE Laboratory for Computational Physical Science, Department of Chemistry, Fudan University, Shanghai, China. igor_zhangying@fudan.edu.cn.; Shanghai Key Laboratory of Bioactive Small Molecules, Shanghai, China. igor_zhangying@fudan.edu.cn.; Hefei National Laboratory, Hefei, China. igor_zhangying@fudan.edu.cn., Xu X; Shanghai Key Laboratory of Molecular Catalysis and Innovation Materials, Collaborative Innovation Centre of Chemistry for Energy Materials, MOE Laboratory for Computational Physical Science, Department of Chemistry, Fudan University, Shanghai, China. xxchem@fudan.edu.cn.; Hefei National Laboratory, Hefei, China. xxchem@fudan.edu.cn. |
| Source: | Nature communications [Nat Commun] 2025 Jan 02; Vol. 16 (1), pp. 235. Date of Electronic Publication: 2025 Jan 02. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 2041-1723 |
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| DOI: | 10.1038/s41467-024-55524-z |
