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The Journal of Chemical Physics|May 14, 2026
Constrained nuclear-electronic orbital second-order Møller-Plesset perturbation theoryGabrielle B Tucker, Kurt R BrorsenACS Omega|February 13, 2023
Hydrogen-Atom Electronic Basis Sets for Multicomponent Quantum ChemistryIrina Samsonova, Gabrielle B Tucker, Naresh Alaal, et al.Journal of Chemical Theory and Computation|February 22, 2020
Quantifying Multireference Character in Multicomponent Systems with Heat-Bath Configuration InteractionKurt R BrorsenThe Journal of Chemical Physics|June 3, 2019
Reproducing global potential energy surfaces with continuous-filter convolutional neural networksKurt R BrorsenThe Journal of Physical Chemistry. A|October 27, 2020
Mixed Quantum-Classical Dynamics with Machine Learning-Based Potentials via Wigner SamplingMuhammad Ardiansyah, Kurt R BrorsenJournal of Computational Chemistry|December 24, 2025
Benchmarking Vibrational Second-Order Perturbation Theory Computations of Dipole Moments and Their Correlation With Electronic Density Errors Using Density Functional TheoryDylan Fowler, Kurt R BrorsenThe Journal of Chemical Physics|December 23, 2021
Multicomponent heat-bath configuration interaction with the perturbative correction for the calculation of protonic excited statesNaresh Alaal, Kurt R BrorsenJournal of Chemical Theory and Computation|November 23, 2022
(T) Correction for Multicomponent Coupled-Cluster Theory for a Single Quantum ProtonDylan Fowler, Kurt R BrorsenThe Journal of Chemical Physics|March 9, 2021
Separation of electron-electron and electron-proton correlation in multicomponent orbital-optimized perturbation theoryO Jonathan Fajen, Kurt R BrorsenThe Journal of Chemical Physics|December 23, 2021
Multicomponent MP4 and the inclusion of triple excitations in multicomponent many-body methodsO Jonathan Fajen, Kurt R BrorsenPageof 3