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Journal of Chemical Theory and Computation|April 25, 2019
Non-Orthogonal Configuration Interaction with Single Substitutions for Core-Excited States: An Extension to Doublet RadicalsKatherine J Oosterbaan, Alec F White, Martin Head-GordonThe Journal of Chemical Physics|August 3, 2018
Non-orthogonal configuration interaction with single substitutions for the calculation of core-excited statesKatherine J Oosterbaan, Alec F White, Martin Head-GordonThe Journal of Chemical Physics|February 10, 2015
Complex basis functions revisited: implementation with applications to carbon tetrafluoride and aromatic N-containing heterocycles within the static-exchange approximationAlec F White, Martin Head-Gordon, C William McCurdyThe Journal of Chemical Physics|August 24, 2015
Restricted and unrestricted non-Hermitian Hartree-Fock: Theory, practical considerations, and applications to metastable molecular anionsAlec F White, C William McCurdy, Martin Head-GordonNature Communications|April 7, 2023
Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistrySeunghoon Lee, Joonho Lee, Huanchen Zhai, et al.Physical Chemistry Chemical Physics : PCCP|April 7, 2020
Generalized single excitation configuration interaction: an investigation into the impact of the inclusion of non-orthogonality on the calculation of core-excited statesKatherine J Oosterbaan, Alec F White, Diptarka Hait, et al.The Journal of Chemical Physics|June 24, 2017
Second order Møller-Plesset and coupled cluster singles and doubles methods with complex basis functions for resonances in electron-molecule scatteringAlec F White, Evgeny Epifanovsky, C William McCurdy, et al.The Journal of Chemical Physics|February 3, 2017
Simulating the absorption spectra of helium clusters (N = 70, 150, 231, 300) using a charge transfer correction to superposition of fragment single excitationsQinghui Ge, Yuezhi Mao, Alec F White, et al.Journal of Chemical Theory and Computation|April 25, 2024
Fast Emulation of Fermionic Circuits with Matrix Product StatesJustin Provazza, Klaas Gunst, Huanchen Zhai, et al.The Journal of Physical Chemistry Letters|October 6, 2020
The Ground State Electronic Energy of BenzeneJanus J Eriksen, Tyler A Anderson, J Emiliano Deustua, et al.Pageof 15