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Symmetrical windowing for quantum states in quasi-classical trajectory simulations: application to electronically non-adiabatic processes

The Journal of chemical physics, 2013-12, Vol.139 (23), p.234112-234112

2013

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Symmetrical Windowing for Quantum States in Quasi-Classical Trajectory Simulations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (32), p.7190-7194

2013

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The Symmetrical Quasi-Classical Model for Electronically Non-Adiabatic Processes Applied to Energy Transfer Dynamics in Site-Exciton Models of Light-Harvesting Complexes

Journal of chemical theory and computation, 2016-03, Vol.12 (3), p.983-991

2016

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On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics

The Journal of chemical physics, 2017-08, Vol.147 (6), p.064112-064112

2017

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Communication: Wigner functions in action-angle variables, Bohr-Sommerfeld quantization, the Heisenberg correspondence principle, and a symmetrical quasi-classical approach to the full electronic density matrix

The Journal of chemical physics, 2016-08, Vol.145 (8), p.081102-081102

2016

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Symmetrical windowing for quantum states in quasi-classical trajectory simulations: application to electron transfer

The Journal of chemical physics, 2014-08, Vol.141 (8), p.084104-084104

2014

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The symmetric quasi-classical model using on-the-fly time-dependent density functional theory within the Tamm-Dancoff approximation

Molecular physics, 2023-04, Vol.121 (7-8)

2023

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Are multi-quasiparticle interactions important in molecular ionization?

The Journal of chemical physics, 2021-03, Vol.154 (12), p.121101-121101

2021

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Simulation of adiabatic quantum computing for molecular ground states

The Journal of chemical physics, 2021-12, Vol.155 (23), p.234106-234106

2021

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A truncated Davidson method for the efficient “chemically accurate” calculation of full configuration interaction wavefunctions without any large matrix diagonalization

The Journal of chemical physics, 2022-12, Vol.157 (22), p.224105-224105

Cotton, Stephen J.

2022

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A symmetrical quasi-classical windowing model for the molecular dynamics treatment of non-adiabatic processes involving many electronic states

The Journal of chemical physics, 2019-03, Vol.150 (10), p.104101-104101

2019

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Trajectory-adjusted electronic zero point energy in classical Meyer-Miller vibronic dynamics: Symmetrical quasiclassical application to photodissociation

The Journal of chemical physics, 2019-05, Vol.150 (19), p.194110-194110

2019

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A new symmetrical quasi-classical model for electronically non-adiabatic processes: Application to the case of weak non-adiabatic coupling

The Journal of chemical physics, 2016-10, Vol.145 (14), p.144108-144108

2016

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Classical molecular dynamics simulation of electronically non-adiabatic processes

Faraday discussions, 2016-01, Vol.195, p.9-3

2016

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A Symmetrical Quasi-Classical Spin-Mapping Model for the Electronic Degrees of Freedom in Non-Adiabatic Processes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-12, Vol.119 (50), p.12138-12145

2015

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Communication: Note on detailed balance in symmetrical quasi-classical models for electronically non-adiabatic dynamics

The Journal of chemical physics, 2015-04, Vol.142 (13), p.131103-131103

2015

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The symmetrical quasi-classical approach to electronically nonadiabatic dynamics applied to ultrafast exciton migration processes in semiconducting polymers

The Journal of chemical physics, 2018-07, Vol.149 (4), p.044101-044101

2018

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The Role of Spin–Orbit Coupling in the Linear Absorption Spectrum and Intersystem Crossing Rate Coefficients of Ruthenium Polypyridyl Dyes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-09, Vol.128 (37), p.7830-7842

2024

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Fantastical excited state optimized structures and where to find them

The Journal of chemical physics, 2023-11, Vol.159 (17)

2023

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Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, ab initio electronic states in the adiabatic representation

Physical chemistry chemical physics : PCCP, 2022-02, Vol.24 (8), p.4820-4831

2022

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Real-Time Evolution for Ultracompact Hamiltonian Eigenstates on Quantum Hardware

PRX quantum, 2022-05, Vol.3 (2), p.020323, Article 020323

2022

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Trajectory-adjusted electronic zero point energy in classical Meyer-Miller vibronic dynamics: Symmetrical quasiclassical application to photodissociation

The Journal of chemical physics, 2019-05, Vol.150 (19)

2019

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The symmetric quasi-classical model using on-the-fly time-dependent density functional theory within the Tamm–Dancoff approximation

Molecular physics, 2022-12, Vol.121 (7-8)

2022

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A symmetrical quasi-classical windowing model for the molecular dynamicstreatment of non-adiabatic processes involving many electronic states

The Journal of chemical physics, 2019-03, Vol.150 (10)

2019

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Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, electronic states in the adiabatic representation

Physical chemistry chemical physics : PCCP, 2022-02, Vol.24 (8), p.482-4831

2022

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Symmetrical windowing for quantum states in quasi-classical trajectory simulations: application to electronically non-adiabatic processes

Symmetrical Windowing for Quantum States in Quasi-Classical Trajectory Simulations

The Symmetrical Quasi-Classical Model for Electronically Non-Adiabatic Processes Applied to Energy Transfer Dynamics in Site-Exciton Models of Light-Harvesting Complexes

On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics

Communication: Wigner functions in action-angle variables, Bohr-Sommerfeld quantization, the Heisenberg correspondence principle, and a symmetrical quasi-classical approach to the full electronic density matrix

Symmetrical windowing for quantum states in quasi-classical trajectory simulations: application to electron transfer

The symmetric quasi-classical model using on-the-fly time-dependent density functional theory within the Tamm-Dancoff approximation

Are multi-quasiparticle interactions important in molecular ionization?

Simulation of adiabatic quantum computing for molecular ground states

A truncated Davidson method for the efficient “chemically accurate” calculation of full configuration interaction wavefunctions without any large matrix diagonalization

A symmetrical quasi-classical windowing model for the molecular dynamics treatment of non-adiabatic processes involving many electronic states

Trajectory-adjusted electronic zero point energy in classical Meyer-Miller vibronic dynamics: Symmetrical quasiclassical application to photodissociation

A new symmetrical quasi-classical model for electronically non-adiabatic processes: Application to the case of weak non-adiabatic coupling

Classical molecular dynamics simulation of electronically non-adiabatic processes

A Symmetrical Quasi-Classical Spin-Mapping Model for the Electronic Degrees of Freedom in Non-Adiabatic Processes

Communication: Note on detailed balance in symmetrical quasi-classical models for electronically non-adiabatic dynamics

The symmetrical quasi-classical approach to electronically nonadiabatic dynamics applied to ultrafast exciton migration processes in semiconducting polymers

The Role of Spin–Orbit Coupling in the Linear Absorption Spectrum and Intersystem Crossing Rate Coefficients of Ruthenium Polypyridyl Dyes

Fantastical excited state optimized structures and where to find them

Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, ab initio electronic states in the adiabatic representation

Real-Time Evolution for Ultracompact Hamiltonian Eigenstates on Quantum Hardware

Trajectory-adjusted electronic zero point energy in classical Meyer-Miller vibronic dynamics: Symmetrical quasiclassical application to photodissociation

The symmetric quasi-classical model using on-the-fly time-dependent density functional theory within the Tamm–Dancoff approximation

A symmetrical quasi-classical windowing model for the molecular dynamicstreatment of non-adiabatic processes involving many electronic states

Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, electronic states in the adiabatic representation

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