Cover Image

A theory of phonon induced friction on molecular adsorbates

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Farahvash, Ardavan, Willard, Adam P.
Format:	Preprint
Published:	2023
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Modeling surface vibrations and their role in molecular adsorption: a generalized Langevin approach
by: Farahvash, Ardavan, et al.
Published: (2023)

The influence of solvent on surface adsorption and desorption
by: Farahvash, Ardavan, et al.
Published: (2024)

Modeling Interfacial Electron Transfer using Path Integral Molecular Dynamics
by: Park, Yoonjae, et al.
Published: (2025)

Resonant molecular transitions in second harmonic generation spectroscopy of Fe-octaethylporphyrin adsorbed on Cu(001)
by: Eschenlohr, A., et al.
Published: (2024)

Adsorption energies and decomposition barrier heights for ethylene carbonate on the surface of lithium from cluster-based quantum chemistry
by: Vo, Ethan A., et al.
Published: (2026)

Theory of vibronic adsorbate-surface Fano resonances
by: Martinez-Gomez, Luis, et al.
Published: (2024)

Maximum entropy distributions of wavefunctions at thermal equilibrium
by: Willson, Jacob T., et al.
Published: (2026)

Manning-type potential induced by kink scatterings with phonons in molecular chains with hyperbolic double-well substrates
by: Dikande, Alain M.
Published: (2025)

Escape from textured adsorbing surfaces
by: Scher, Yuval, et al.
Published: (2024)

Topological advantage for adsorbate chemisorption on conjugated chains
by: Ribeiro, Raphael F., et al.
Published: (2025)

Tunable spin-phonon polarons in a chiral molecular qubit framework
by: Zhou, Aimei, et al.
Published: (2025)

Chemical tuning of quantum spin-electric coupling in molecular nanomagnets
by: Vaganov, Mikhail V., et al.
Published: (2024)

Capturing electronic correlations in electron-phonon interactions in molecular systems with the GW approximation
by: Alvertis, Antonios M., et al.
Published: (2024)

Photo-induced molecular growth of benzonitrile in the gas phase
by: Behera, Nihar Ranjan, et al.
Published: (2024)

Classical and quantum light-induced non-adiabaticity in molecular systems
by: Fábri, Csaba, et al.
Published: (2024)

Raman relaxation in Yb(III) molecular qubits: non-trivial correlations between spin-phonon coupling and molecular structure
by: Sansone, Giacomo, et al.
Published: (2026)

Measuring friction from simulations of folded graphene sheets
by: Rawlins, Charlie M., et al.
Published: (2024)

Quantum rates in dissipative systems with spatially varying friction
by: Bridge, Oliver, et al.
Published: (2024)

Accurate molecular polarizabilities with coupled-cluster theory and machine learning
by: Wilkins, David M., et al.
Published: (2018)

Exactly factorized molecular Kohn-Sham density functional theory
by: Dupuy, Lucien, et al.
Published: (2026)

For molecular polaritons, disorder and phonon timescales control the activation of dark states in the thermodynamic limit
by: Li, Tianchu, et al.
Published: (2026)

Quantum coherence in molecular dynamics induced by inelastic free electron scattering
by: Kumar, Akshay, et al.
Published: (2022)

Extending spin-lattice relaxation theory to three-phonon processes
by: Chanda, Nilanjana, et al.
Published: (2026)

Role of anisotropic electronic friction in laser-driven hydrogen recombination on copper
by: Spears, Alexander, et al.
Published: (2026)

Cyclic- and helical-symmetry-adapted phonon formalism within density functional perturbation theory
by: Sharma, Abhiraj, et al.
Published: (2026)

Role of ultrafast electron-optical-phonon interactions in high harmonic generation from graphene
by: Herling, Adam, et al.
Published: (2026)

Extending ring polymer molecular dynamics rate theory to reactions with non-separable reactants
by: Li, Chen, et al.
Published: (2025)

Optical signatures of coherence in molecular dimers
by: Banerjee, Priyankar, et al.
Published: (2025)

Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation
by: Vargas-Hernández, R. A., et al.
Published: (2022)

Lindblad theory for incoherently-driven electron transport in molecular nanojunctions
by: Recabal, Felipe, et al.
Published: (2023)

Configuration-interaction calculations with density-functional theory molecular orbitals for modeling valence- and core-excited states in molecules
by: Visentin, Giorgio, et al.
Published: (2025)

Unbiased molecular dynamics for the direct determination of catalytic reaction times : paving the way beyond transition state theory
by: Pigeon, Thomas, et al.
Published: (2025)

Spin-dependent terms of the Breit-Pauli Hamiltonian evaluated with an explicitly correlated Gaussian basis set for molecular computations
by: Jeszenszki, Péter, et al.
Published: (2025)

A comprehensive theory for relativistic polaritonic chemistry: a four components ab initio treatment of molecular systems coupled to quantum fields
by: Thiam, Guillaume, et al.
Published: (2024)

Dynamical theory of chiral-induced spin selectivity in electron donor-chiral molecule-acceptor systems
by: Zhang, Tian-Yi, et al.
Published: (2025)

Laser-induced, blackbody-radiation-assisted rovibrational cooling of symmetric-top molecular ions: NH3+ and ND3+
by: Sinha, Archisman, et al.
Published: (2026)

Critical point search and linear response theory for computing electronic excitation energies of molecular systems. Part II. CASSCF
by: Grazioli, Laura, et al.
Published: (2026)

Ab initio treatment of molecular Coster-Kronig decay using complex-scaled equation-of-motion coupled-cluster theory
by: Drennhaus, Jan Philipp, et al.
Published: (2024)

Reaching for the performance limit of hybrid density functional theory for molecular chemistry
by: Liang, Jiashu, et al.
Published: (2026)

Two stage decoherence of optical phonons in long oligomers
by: Burin, Alexander L., et al.
Published: (2024)