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Journal of Chemical Theory and Computation|December 1, 2015
Adaptive Steered Molecular Dynamics of the Long-Distance Unfolding of Neuropeptide YGungor Ozer, Edward F Valeev, Stephen Quirk, et al.
The Journal of Chemical Physics|August 17, 2017
Explicitly correlated N-electron valence state perturbation theory (NEVPT2-F12)Yang Guo, Kantharuban Sivalingam, Edward F Valeev, et al.
Physical Chemistry Chemical Physics : PCCP|June 7, 2008
Equations of explicitly-correlated coupled-cluster methodsToru Shiozaki, Muneaki Kamiya, So Hirata, et al.
The Journal of Chemical Physics|February 18, 2014
Semi-exact concentric atomic density fitting: reduced cost and increased accuracy compared to standard density fittingDavid S Hollman, Henry F Schaefer, Edward F Valeev
Journal of Chemical Theory and Computation|July 31, 2024
Revisiting Artifacts of Kohn-Sham Density Functionals for BiosimulationSamuel A Slattery, Jaden C Yon, Edward F Valeev
The Journal of Chemical Physics|July 24, 2015
Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitalsPeter Pinski, Christoph Riplinger, Edward F Valeev, et al.
The Journal of Chemical Physics|February 12, 2009
Higher-order explicitly correlated coupled-cluster methodsToru Shiozaki, Muneaki Kamiya, So Hirata, et al.
The Journal of Chemical Physics|February 24, 2020
Direct determination of optimal pair-natural orbitals in a real-space representation: The second-order Moller-Plesset energyJakob S Kottmann, Florian A Bischoff, Edward F Valeev
The Journal of Physical Chemistry. A|October 31, 2024
"Best" Iterative Coupled-Cluster Triples Model? More Evidence for 3CCNakul K Teke, Ajay Melekamburath, Bimal Gaudel, et al.
The Journal of Chemical Physics|February 12, 2015
Communication: stochastic evaluation of explicitly correlated second-order many-body perturbation energySoohaeng Yoo Willow, Jinmei Zhang, Edward F Valeev, et al.
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