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Journal Articles

Zombie cats on the quantum–classical frontier: Wigner–Moyal and semiclassical limit dynamics of quantum coherence in molecules

Austin T. Green, Craig C. Martens

J. Chem. Phys. 159, 204102 (2023)

https://doi.org/10.1063/5.0177421

Published: November 2023

View article titled, Zombie cats on the quantum–classical frontier: Wigner–Moyal and semiclassical limit dynamics of quantum coherence in molecules

Journal Articles

Molecular dynamics-driven global potential energy surfaces: Application to the AlF dimer

Xiangyue Liu, Weiqi Wang, Jesús Pérez-Ríos

J. Chem. Phys. 159, 144103 (2023)

https://doi.org/10.1063/5.0169080

Published: October 2023

View article titled, Molecular dynamics-driven global potential energy surfaces: Application to the AlF dimer

Journal Articles

High-order geometric integrators for the variational Gaussian approximation

Roya Moghaddasi Fereidani, Jiří J. L. Vaníček

J. Chem. Phys. 159, 094114 (2023)

https://doi.org/10.1063/5.0165489

Published: September 2023

View article titled, High-order geometric integrators for the variational Gaussian approximation

Includes: Supplementary data

Journal Articles

Regular reaction dynamics in analytical form in the vicinity of symmetrical transition states. Central barrier crossings in S_N2 reactions

J. C. Lorquet

J. Chem. Phys. 159, 094302 (2023)

https://doi.org/10.1063/5.0164174

Published: September 2023

View article titled, Regular reaction dynamics in analytical form in the vicinity of symmetrical transition states. Central barrier crossings in S<sub>N</sub>2 reactions

Journal Articles

Vibrational response functions for multidimensional electronic spectroscopy: From Duschinsky rotations to multimode squeezed coherent states

Frank Ernesto Quintela Rodriguez, Filippo Troiani

J. Chem. Phys. 159, 084111 (2023)

https://doi.org/10.1063/5.0162594

Published: August 2023

View article titled, Vibrational response functions for multidimensional electronic spectroscopy: From Duschinsky rotations to multimode squeezed coherent states

Journal Articles

Phase space perspective on a model for isomerization in an optical cavity

Subhadip Mondal, Srihari Keshavamurthy

J. Chem. Phys. 159, 074106 (2023)

https://doi.org/10.1063/5.0160586

Published: August 2023

View article titled, Phase space perspective on a model for isomerization in an optical cavity

Includes: Supplementary data

Journal Articles

Statistical mechanics of the GENERIC framework under external forcing

Pep Español

J. Chem. Phys. 159, 024111 (2023)

https://doi.org/10.1063/5.0159283

Published: July 2023

View article titled, Statistical mechanics of the GENERIC framework under external forcing

Journal Articles

Electron transfer at electrode interfaces via a straightforward quasiclassical fermionic mapping approach

Kenneth A. Jung, Joseph Kelly, Thomas E. Markland

J. Chem. Phys. 159, 014109 (2023)

https://doi.org/10.1063/5.0156136

Published: July 2023

View article titled, Electron transfer at electrode interfaces via a straightforward quasiclassical fermionic mapping approach

Includes: Supplementary data

Journal Articles

Fluorescence in quantum dynamics: Accurate spectra require post-mean-field approaches

Carlos M. Bustamante, Esteban D. Gadea, Tchavdar N. Todorov, Andrew Horsfield, Lorenzo Stella, Damian A. Scherlis

J. Chem. Phys. 158, 144104 (2023)

https://doi.org/10.1063/5.0142094

Published: April 2023

View article titled, Fluorescence in quantum dynamics: Accurate spectra require post-mean-field approaches

Journal Articles

Molecular vibrations in the presence of velocity-dependent forces

Erik I. Tellgren, Tanner Culpitt, Laurens D. M. Peters, Trygve Helgaker

J. Chem. Phys. 158, 124124 (2023)

https://doi.org/10.1063/5.0139684

Published: March 2023

View article titled, Molecular vibrations in the presence of velocity-dependent forces

Journal Articles

Dynamics of the spin-boson model: The effect of bath initial conditions

Lipeng Chen, Yiying Yan, Maxim F. Gelin, Zhiguo Lü

J. Chem. Phys. 158, 104109 (2023)

https://doi.org/10.1063/5.0138399

Published: March 2023

View article titled, Dynamics of the spin-boson model: The effect of bath initial conditions

Journal Articles

A quantum-classical Liouville formalism in a preconditioned basis and its connection with phase-space surface hopping

Yanze Wu, Joseph E. Subotnik

J. Chem. Phys. 158, 024115 (2023)

https://doi.org/10.1063/5.0124835

Published: January 2023

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Topics

Zombie cats on the quantum–classical frontier: Wigner–Moyal and semiclassical limit dynamics of quantum coherence in molecules

Molecular dynamics-driven global potential energy surfaces: Application to the AlF dimer

High-order geometric integrators for the variational Gaussian approximation

Regular reaction dynamics in analytical form in the vicinity of symmetrical transition states. Central barrier crossings in S_N2 reactions

Vibrational response functions for multidimensional electronic spectroscopy: From Duschinsky rotations to multimode squeezed coherent states

Phase space perspective on a model for isomerization in an optical cavity

Statistical mechanics of the GENERIC framework under external forcing

Electron transfer at electrode interfaces via a straightforward quasiclassical fermionic mapping approach

Fluorescence in quantum dynamics: Accurate spectra require post-mean-field approaches

Molecular vibrations in the presence of velocity-dependent forces

Dynamics of the spin-boson model: The effect of bath initial conditions

A quantum-classical Liouville formalism in a preconditioned basis and its connection with phase-space surface hopping