Browse "College of Natural Sciences(자연과학대학)" by Subject RI-MP2

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
Analytical gradient of restricted second-order Moller-Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex

Rhee, Young Min; DiStasio, Robert A., Jr.; Lochan, Rohini C.; Head-Gordon, Martin, CHEMICAL PHYSICS LETTERS, v.426, no.1-3, pp.197 - 203, 2006-07

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