Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties

[Image: see text] The semiempirical orthogonalization-corrected OMx methods (OM1, OM2, and OM3) go beyond the standard MNDO model by including additional interactions in the electronic structure calculation. When augmented with empirical dispersion corrections, the resulting OMx-Dn approaches offer...

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Detalles Bibliográficos
Autores principales: Dral, Pavlo O., Wu, Xin, Spörkel, Lasse, Koslowski, Axel, Thiel, Walter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4785506/
https://www.ncbi.nlm.nih.gov/pubmed/26771261
http://dx.doi.org/10.1021/acs.jctc.5b01047

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4785506/
https://www.ncbi.nlm.nih.gov/pubmed/26771261
http://dx.doi.org/10.1021/acs.jctc.5b01047

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