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The Journal of Chemical Physics|September 17, 2015
Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and SurfacesAngelos Michaelides, Todd J Martinez, Ali Alavi, et al.The Journal of Chemical Physics|March 3, 2018
Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanesSergey V Krasnoshchekov, Roman S Schutski, Norman C Craig, et al.The Journal of Physical Chemistry Letters|October 28, 2017
Pushing the Limits of EOM-CCSD with Projector-Based Embedding for Excitation EnergiesSimon J Bennie, Basile F E Curchod, Frederick R Manby, et al.Journal of Chemical Theory and Computation|November 19, 2015
Embedded mean-field theoryMark E Fornace, Joonho Lee, Kaito Miyamoto, et al.The Journal of Chemical Physics|March 3, 2017
Correcting density-driven errors in projection-based embeddingRobert C R Pennifold, Simon J Bennie, Thomas F Miller, et al.The Journal of Chemical Physics|February 15, 2013
The orbital-specific virtual local triples correction: OSV-L(T)Martin Schütz, Jun Yang, Garnet Kin-Lic Chan, et al.The Journal of Chemical Physics|January 9, 2022
Perturbation-adapted perturbation theoryPeter J KnowlesThe Journal of Chemical Physics|April 17, 2012
The orbital-specific-virtual local coupled cluster singles and doubles methodJun Yang, Garnet Kin-Lic Chan, Frederick R Manby, et al.Chemical Communications (Cambridge, England)|October 13, 2005
Multiple high-level QM/MM reaction paths demonstrate transition-state stabilization in chorismate mutase: correlation of barrier height with transition-state stabilizationFrederik Claeyssens, Kara E Ranaghan, Frederick R Manby, et al.Physical Chemistry Chemical Physics : PCCP|June 7, 2008
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexesErich Goll, Thierry Leininger, Frederick R Manby, et al.Pageof 12