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Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group
[Image: see text] We present a second-order N-electron valence state perturbation theory (NEVPT2) based on a density matrix renormalization group (DMRG) reference wave function that exploits a Cholesky decomposition of the two-electron repulsion integrals (CD-DMRG-NEVPT2). With a parameter-free mult...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5312874/ https://www.ncbi.nlm.nih.gov/pubmed/28094988 http://dx.doi.org/10.1021/acs.jctc.6b00778 |