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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 Lotrich
The 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|August 21, 2009
On the use of shifted Jacobi polynomials in accurate evaluation of roots and weights of Rys polynomialsN Flocke
The 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 Bartlett
The Journal of Chemical Physics|January 7, 2005
A natural linear scaling coupled-cluster methodN Flocke, Rodney J Bartlett
The Journal of Physical Chemistry. B|July 21, 2006
Density functional energetics of alpha-quartz for calibration of SiO2 interatomic potentialsN Flocke, Wuming Zhu, S B Trickey
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.
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