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Electronic Excitations in Crystalline Solids through the Maximum Overlap Method
[Image: see text] The maximum overlap method (MOM) has emerged from molecular quantum chemistry as a convenient practical procedure for studying excited states. Unlike the Aufbau principle, during self-consistent field (SCF) iterations, the MOM forces orbital occupation to be maximally similar to th...
| 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/PMC8515789/ https://www.ncbi.nlm.nih.gov/pubmed/34591492 http://dx.doi.org/10.1021/acs.jctc.1c00427 |