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The Journal of Physical Chemistry. A
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August 14, 2020
Complete Nuclear Permutation Inversion Invariant Artificial Neural Network (CNPI-ANN) Diabatization for the Accurate Treatment of Vibronic Coupling Problems
David M G Williams, Wolfgang Eisfeld
The Journal of Chemical Physics
|
December 4, 2018
Neural network diabatization: A new <i>ansatz</i> for accurate high-dimensional coupled potential energy surfaces
David M G Williams, Wolfgang Eisfeld
The Journal of Chemical Physics
|
July 14, 2025
Quasi-infinite order vibronic coupling expansions with neural networks for linear systems: The C4H radical
David M G Williams, Alexandra Viel
The Journal of Chemical Physics
|
February 28, 2021
Accurate quantum dynamics simulation of the photodetachment spectrum of the nitrate anion (NO<sub>3</sub> <sup>-</sup>) based on an artificial neural network diabatic potential model
Alexandra Viel, David M G Williams, Wolfgang Eisfeld
The Journal of Chemical Physics
|
November 3, 2019
Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO<sub>3</sub>
David M G Williams, Alexandra Viel, Wolfgang Eisfeld
Physical Chemistry Chemical Physics : PCCP
|
August 3, 2022
Simulation of the photodetachment spectra of the nitrate anion (NO<sub>3</sub><sup>-</sup>) in the B̃ <sup>2</sup>E' energy range and non-adiabatic electronic population dynamics of NO<sub>3</sub>
David M G Williams, Wolfgang Eisfeld, Alexandra Viel
The Journal of Chemical Physics
|
July 16, 2025
Universal diabatic representation of operators using Cnv/Dnh symmetry. I. General derivation
Jean Paul Nshuti, David M G Williams, Alexandra Viel
The Journal of Chemical Physics
|
August 24, 2019
Quantum dynamics and geometric phase in E⊗e Jahn-Teller systems with general C<sub>nv</sub> symmetry
Thomas Weike, David M G Williams, Alexandra Viel, et al.
The Journal of Chemical Physics
|
June 7, 2023
Geometric phase in coupled cluster theory
David M G Williams, Eirik F Kjønstad, Todd J Martínez
Physical Chemistry Chemical Physics : PCCP
|
January 29, 2025
Electronic quenching of sulfur induced by argon collisions
David M G Williams, Nicole Weike, Manuel Lara, et al.
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of 1
Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. A
|
August 14, 2020
Complete Nuclear Permutation Inversion Invariant Artificial Neural Network (CNPI-ANN) Diabatization for the Accurate Treatment of Vibronic Coupling Problems
David M G Williams, Wolfgang Eisfeld
The Journal of Chemical Physics
|
December 4, 2018
Neural network diabatization: A new <i>ansatz</i> for accurate high-dimensional coupled potential energy surfaces
David M G Williams, Wolfgang Eisfeld
The Journal of Chemical Physics
|
July 14, 2025
Quasi-infinite order vibronic coupling expansions with neural networks for linear systems: The C4H radical
David M G Williams, Alexandra Viel
The Journal of Chemical Physics
|
February 28, 2021
Accurate quantum dynamics simulation of the photodetachment spectrum of the nitrate anion (NO<sub>3</sub> <sup>-</sup>) based on an artificial neural network diabatic potential model
Alexandra Viel, David M G Williams, Wolfgang Eisfeld
The Journal of Chemical Physics
|
November 3, 2019
Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO<sub>3</sub>
David M G Williams, Alexandra Viel, Wolfgang Eisfeld
Physical Chemistry Chemical Physics : PCCP
|
August 3, 2022
Simulation of the photodetachment spectra of the nitrate anion (NO<sub>3</sub><sup>-</sup>) in the B̃ <sup>2</sup>E' energy range and non-adiabatic electronic population dynamics of NO<sub>3</sub>
David M G Williams, Wolfgang Eisfeld, Alexandra Viel
The Journal of Chemical Physics
|
July 16, 2025
Universal diabatic representation of operators using Cnv/Dnh symmetry. I. General derivation
Jean Paul Nshuti, David M G Williams, Alexandra Viel
The Journal of Chemical Physics
|
August 24, 2019
Quantum dynamics and geometric phase in E⊗e Jahn-Teller systems with general C<sub>nv</sub> symmetry
Thomas Weike, David M G Williams, Alexandra Viel, et al.
The Journal of Chemical Physics
|
June 7, 2023
Geometric phase in coupled cluster theory
David M G Williams, Eirik F Kjønstad, Todd J Martínez
Physical Chemistry Chemical Physics : PCCP
|
January 29, 2025
Electronic quenching of sulfur induced by argon collisions
David M G Williams, Nicole Weike, Manuel Lara, et al.
Page
of 1