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Journal of Computational Chemistry|May 23, 2008
Efficient electronic integrals and their generalized derivatives for object oriented implementations of electronic structure calculationsN Flocke, V LotrichThe Journal of Chemical Physics|May 17, 2011
External coupled-cluster perturbation theory: description and application to weakly interaction dimers. Corrections to the random phase approximationV Lotrich, Rodney J BartlettThe Journal of Chemical Physics|May 27, 2008
Parallel implementation of electronic structure energy, gradient, and Hessian calculationsV Lotrich, N Flocke, M Ponton, et al.The Journal of Chemical Physics|March 5, 2014
Communication: multireference equation of motion coupled cluster: a transform and diagonalize approach to electronic structureMarcel Nooijen, Ondřej Demel, Dipayan Datta, et al.Pageof 1