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The Journal of Chemical Physics|November 13, 2007
The weak orthogonality functional in explicitly correlated pair theoriesDavid P Tew, Wim Klopper, Frederick R ManbyThe Journal of Chemical Physics|April 3, 2021
Reliable transition properties from excited-state mean-field calculationsSusannah Bourne Worster, Oliver Feighan, Frederick R ManbyJournal of Chemical Theory and Computation|November 27, 2015
Multicore Parallelization of Kohn-Sham TheoryChristopher J Woods, Philip Brown, Frederick R ManbyProceedings of the National Academy of Sciences of the United States of America|January 23, 2023
Charge transfer as a mechanism for chlorophyll fluorescence concentration quenchingSusannah Bourne-Worster, Oliver Feighan, Frederick R ManbyThe Journal of Chemical Physics|October 15, 2018
Even-handed subsystem selection in projection-based embeddingMatthew Welborn, Frederick R Manby, Thomas F MillerThe Journal of Chemical Physics|September 3, 2015
A complete description of tunnelling using direct quantum dynamics simulation: Salicylaldimine proton transferIakov Polyak, Charlotte S M Allan, Graham A WorthThe Journal of Chemical Physics|January 14, 2023
An efficient protocol for excited states of large biochromophoresOliver Feighan, Frederick R Manby, Susannah Bourne-WorsterJournal of Chemical Theory and Computation|October 18, 2016
Fock-Matrix Corrections in Density Functional Theory and Use in Embedded Mean-Field TheoryKaito Miyamoto, Thomas F Miller, Frederick R ManbyJournal of Chemical Theory and Computation|March 1, 2017
Embedded Mean-Field Theory with Block-Orthogonalized PartitioningFeizhi Ding, Frederick R Manby, Thomas F MillerThe Journal of Chemical Physics|January 15, 2008
An efficient method for the calculation of quantum mechanics/molecular mechanics free energiesChristopher J Woods, Frederick R Manby, Adrian J MulhollandPageof 12