Other Condensed Matter · Physics
Ab Initio Molecular Dynamics on the Electronic Boltzmann Equilibrium Distribution
J. L. Alonso, A. Castro, P. Echenique, V. Polo +2
2010-09-01
Chemical Physics · Physics
Non-adiabatic molecular Hamiltonian: Canonical transformation coupling electronic and vibrational motions
Ivan Hubac, Peter Babinec, Martin Polasek, Jan Urban +3
2007-05-23
Mesoscale and Nanoscale Physics · Physics
Nonadiabatic Dynamics of Molecules Interacting with Metal Surfaces: A Quantum-Classical Approach Based on Langevin Dynamics and the Hierarchical Equations of Motion
Samuel L. Rudge, Christoph Kaspar, Robin L. Grether, Steffen Wolf +2
2024-05-06
Quantum Physics · Physics
Quantum-Classical Non-Adiabatic Dynamics: Coupled- vs. Independent-Trajectory Methods
Federica Agostini, Seung Kyu Min, Ali Abedi, E. K. U. Gross
2016-02-29
Mesoscale and Nanoscale Physics · Physics
Nonadiabatic to Adiabatic Transition of Electron Transfer in Colloidal Quantum Dot Molecules
Bokang Hou, Michael Thoss, Uri Banin, Eran Rabani
2023-05-30
Quantum Physics · Physics
Shortcut to adiabatic passage in two and three level atoms
Xi Chen, I. Lizuain, A. Ruschhaupt, D. Guery-Odelin +1
2010-09-20
Chemical Physics · Physics
A Robust and Unified Solution for Choosing the Phases of Adiabatic States as a Function of Geometry: Extending Parallel Transport Concepts to the cases of Trivial & Near Trivial Crossings
Zeyu Zhou, Zuxin Jin, Tian Qiu, Andrew M. Rappe +1
2019-09-26
Materials Science · Physics
First-principles Nonadiabatic Dynamics of Molecules at Metal Surfaces with Vibrationally Coupled Electron Transfer
Gang Meng, James Gardner, Wenjie Dou, Reinhard J. Maurer +1
2024-01-05
Atomic and Molecular Clusters · Physics
Adiabatic orientation of rotating dipole molecules in an external field
J. Bulthuis, J. A. Becker, R. Moro, V. V. Kresin
2008-07-09
Chemical Physics · Physics
A perturbative formalism for electronic transitions through conical intersections in a fully quadratic vibronic model
Julia S. Endicott, Loic Joubert-Doriol, Artur F. Izmaylov
2015-01-12
Chemical Physics · Physics
Best practices for nonadiabatic molecular dynamics simulations
Antonio Prlj, Jack T. Taylor, Jiří Janoš, Elise Lognon +4
2026-01-21