Browse by Subject GENERALIZED-GRADIENT-APPROXIMATION
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| Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited states Kim, Jaewook; Hong, Kwang-Woo; Hwang, Sang-Yeon; Ryu, Seongok; Choi, Sunghwan; Kim, Woo Youn, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.19, no.15, pp.10177 - 10186, 2017-04 |
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package Epifanovsky, Evgeny; Gilbert, Andrew T. B.; Feng, Xintian; Lee, Joonho; Mao, Yuezhi; Mardirossian, Narbe; Pokhilko, Pavel; et al, JOURNAL OF CHEMICAL PHYSICS, v.155, no.8, 2021-08 |
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