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5 results in Keywords: Mixed Quantum-Classical Dynamics

Theoretical and Computational Chemistry

Solving the Trivial Crossing Problem While Preserving the Nodal Symmetry of the Wavefunction

Adam Willard, Elizabeth Lee

Version 1 posted 27 March 2019

501

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Theoretical and Computational Chemistry

On-the-fly Non-adiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects

Braden Weight, Andrew Sifain, Brendan Gifford, Han Htoon, Sergei Tretiak

Version 1 posted 15 June 2022

301

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1

Citations

Theoretical and Computational Chemistry

SHARP pack: A modular software for incorporating nuclear quantum effects into non-adiabatic quantum dynamic simulations in condensed phases

Dil K. Limbu, Farnaz A. Shakib

Version 1 posted 17 November 2023

166

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Physical Chemistry

Room-Temperature Strong Coupling between CdSe Nanoplatelets and a Metal–DBR Fabry–Pérot Cavity

Ovishek Morshed, Mitesh Amin, Nicole M. B. Cogan, Eric R. Koessler, Robert Collison, Trevor M. Tumiel, William Girten, Farwa Awan, Lele Mathis, Pengfei Huo, A. Nickolas Vamivakas, Teri W. Odom, Todd D. Krauss

Version 3 posted 22 May 2024

905

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Theoretical and Computational Chemistry

Trajectory-based Non-adiabatic Simulations of the Polariton Relaxation Dynamics

Deping Hu, Benjamin Chng, Wenxiang Ying, Pengfei Huo

Version 1 posted 01 November 2024

356

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