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The Journal of Chemical Physics
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August 3, 2018
Non-orthogonal configuration interaction with single substitutions for the calculation of core-excited states
Katherine J Oosterbaan, Alec F White, Martin Head-Gordon
The 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 approximation
Alec F White, Martin Head-Gordon, C William McCurdy
The Journal of Chemical Physics
|
August 24, 2015
Restricted and unrestricted non-Hermitian Hartree-Fock: Theory, practical considerations, and applications to metastable molecular anions
Alec F White, C William McCurdy, Martin Head-Gordon
Nature Computational Science
|
January 4, 2024
Quantum harmonic free energies for biomolecules and nanomaterials
Alec F White, Chenghan Li, Xing Zhang, 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 states
Katherine 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 scattering
Alec F White, Evgeny Epifanovsky, C William McCurdy, et al.
The Journal of Chemical Physics
|
August 3, 2021
Conservation laws in coupled cluster dynamics at finite temperature
Ruojing Peng, Alec F White, Huanchen Zhai, et al.
The Journal of Chemical Physics
|
December 15, 2020
A coupled cluster framework for electrons and phonons
Alec F White, Yang Gao, Austin J Minnich, 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 excitations
Qinghui 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 States
Justin Provazza, Klaas Gunst, Huanchen Zhai, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 21) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
August 3, 2018
Non-orthogonal configuration interaction with single substitutions for the calculation of core-excited states
Katherine J Oosterbaan, Alec F White, Martin Head-Gordon
The 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 approximation
Alec F White, Martin Head-Gordon, C William McCurdy
The Journal of Chemical Physics
|
August 24, 2015
Restricted and unrestricted non-Hermitian Hartree-Fock: Theory, practical considerations, and applications to metastable molecular anions
Alec F White, C William McCurdy, Martin Head-Gordon
Nature Computational Science
|
January 4, 2024
Quantum harmonic free energies for biomolecules and nanomaterials
Alec F White, Chenghan Li, Xing Zhang, 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 states
Katherine 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 scattering
Alec F White, Evgeny Epifanovsky, C William McCurdy, et al.
The Journal of Chemical Physics
|
August 3, 2021
Conservation laws in coupled cluster dynamics at finite temperature
Ruojing Peng, Alec F White, Huanchen Zhai, et al.
The Journal of Chemical Physics
|
December 15, 2020
A coupled cluster framework for electrons and phonons
Alec F White, Yang Gao, Austin J Minnich, 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 excitations
Qinghui 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 States
Justin Provazza, Klaas Gunst, Huanchen Zhai, et al.
Page
of 3