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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.The Journal of Chemical Physics|October 2, 2017
Communication: Explicitly correlated formalism for second-order single-particle Green's functionFabijan Pavošević, Chong Peng, J V Ortiz, et al.The Journal of Chemical Physics|June 10, 2019
Explicitly correlated renormalized second-order Green's function for accurate ionization potentials of closed-shell moleculesNakul K Teke, Fabijan Pavošević, Chong Peng, et al.The Journal of Chemical Physics|April 17, 2016
SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitalsFabijan Pavošević, Peter Pinski, Christoph Riplinger, et al.The Journal of Chemical Physics|June 10, 2010
Scalar relativistic explicitly correlated R12 methodsFlorian A Bischoff, Edward F Valeev, Wim Klopper, et al.Journal of Chemical Theory and Computation|September 10, 2025
Slimmer Geminals For Accurate F12 Electronic Structure ModelsSamuel R Powell, Kshitijkumar A Surjuse, Bimal Gaudel, et al.The Journal of Chemical Physics|January 17, 2016
Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theoryChristoph Riplinger, Peter Pinski, Ute Becker, et al.The Journal of Chemical Physics|May 1, 2017
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theoryMasaaki Saitow, Ute Becker, Christoph Riplinger, et al.The Journal of Physical Chemistry. A|December 15, 2016
Massively Parallel Implementation of Explicitly Correlated Coupled-Cluster Singles and Doubles Using TiledArray FrameworkChong Peng, Justus A Calvin, Fabijan Pavošević, et al.Pageof 9