Browse "Dept. of Chemistry(화학과)" by Subject SELF-INTERACTION CORRECTION

Showing results 1 to 2 of 2

1
An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Moller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis

Distasio, Robert A., Jr.; Steele, Ryan P.; Rhee, Young Min; Shao, Yihan; Head-Gordon, Martin, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.28, no.5, pp.839 - 856, 2007-04

2
Feature of Exact Exchange Kohn-Sham Orbitals with Krieger-Li-Iafrate Approximation

Kim, Jaewook; Hong, Kwangwoo; Choi, Sunghwan; Kim, Woo Youn, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.36, no.3, pp.998 - 1007, 2015-03

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