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Simplified State Interaction for Matrix Product State Wave Functions
[Image: see text] We present an approximation to the state-interaction approach for matrix product state (MPS) wave functions (MPSSI) in a nonorthogonal molecular orbital basis, first presented by Knecht et al. [J. Chem. Theory Comput.,2016, 28, 5881], that allows for a significant reduction of the...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8675135/ https://www.ncbi.nlm.nih.gov/pubmed/34860525 http://dx.doi.org/10.1021/acs.jctc.1c00674 |