Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs

标题
Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 13, Issue 2, Pages 616-626
出版商
American Chemical Society (ACS)
发表日期
2016-12-22
DOI
10.1021/acs.jctc.6b01102

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