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Showing results 1 to 3 of 3

1
A fast implementation of perfect pairing and imperfect pairing using the resolution of the identity approximation

Sodt, A; Beran, GJO; Jung, Yousung; Austin, B; Head-Gordon, M, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.2, no.2, pp.300 - 305, 2006

2
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

3
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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