First-principles Nonadiabatic Dynamics of Molecules at Metal Surfaces with Vibrationally Coupled Electron Transfer
Fuente:
arXiv
Saved in:
| Main Authors: | Meng, Gang, Gardner, James, Dou, Wenjie, Maurer, Reinhard J., Jiang, Bin |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
First-Principles Understanding of Vibrational Energy Transfer in Molecule-Surface Scattering: Both Adiabatic and Nonadiabatic Channels Matter
by: Meng, Gang, et al.
Published: (2025)
by: Meng, Gang, et al.
Published: (2025)
Nonadiabatic Quantum Dynamics of Molecules Scattering from Metal Surfaces
by: Preston, Riley J., et al.
Published: (2024)
by: Preston, Riley J., et al.
Published: (2024)
Vibrational Strong Coupling of Ro-Vibrational States of Gaseous N2O Molecules
by: Kadyan, Akhila, et al.
Published: (2024)
by: Kadyan, Akhila, et al.
Published: (2024)
Group Conductivity and Nonadiabatic Born Effective Charges of Disordered Metals, Warm Dense Matter, and Hot Dense Plasma
by: Sharma, Vidushi, et al.
Published: (2024)
by: Sharma, Vidushi, et al.
Published: (2024)
Nonadiabatic corrections to electric quadrupole transition rates in H$_2$
by: Pachucki, Krzysztof, et al.
Published: (2025)
by: Pachucki, Krzysztof, et al.
Published: (2025)
Preserving Surface Strain in Nanocatalysts via Morphology Control
by: Shi, Chuqiao, et al.
Published: (2024)
by: Shi, Chuqiao, et al.
Published: (2024)
Optical Cycling and Sensitivity to the Electron's Electric Dipole Moment in Gold-Containing Molecules
by: Stuntz, K. Cooper, et al.
Published: (2024)
by: Stuntz, K. Cooper, et al.
Published: (2024)
Nonadiabatic reactive scattering of hydrogen on different surface facets of copper
by: Stark, Wojciech G., et al.
Published: (2025)
by: Stark, Wojciech G., et al.
Published: (2025)
The Zero-Quantum-Defect Method and the Fundamental Vibrational Interval of H$_2^+$
by: Doran, Ioana, et al.
Published: (2024)
by: Doran, Ioana, et al.
Published: (2024)
Bottom-up Analysis of Ro-Vibrational Helical Dichroism
by: Hrast, Mateja, et al.
Published: (2025)
by: Hrast, Mateja, et al.
Published: (2025)
Electron Impact Fragmentation Dynamics of Carbonyl Sulfide: A Combined Experimental and Theoretical Study
by: Ghosh, Soumya, et al.
Published: (2025)
by: Ghosh, Soumya, et al.
Published: (2025)
Weak-Field Coherent Control of Ultrafast Molecule Making
by: Geva, Moran, et al.
Published: (2023)
by: Geva, Moran, et al.
Published: (2023)
Molecular Tools for Non-Planar Surface Chemistry
by: Huff, Taleana, et al.
Published: (2025)
by: Huff, Taleana, et al.
Published: (2025)
Electronic State Population Dynamics upon Ultrafast Strong Field Ionization and Fragmentation of Molecular Nitrogen
by: Kleine, Carlo, et al.
Published: (2024)
by: Kleine, Carlo, et al.
Published: (2024)
Complete insensitivity to ab initio data -- A new perspective on modeling collision-induced absorption of noble gas atoms
by: Chandran, Nikhila Ambika, et al.
Published: (2025)
by: Chandran, Nikhila Ambika, et al.
Published: (2025)
Insights into Polymer Electrolyte Stability and Reaction Pathways: A first-principle calculations study
by: Zhour, Kazem, et al.
Published: (2024)
by: Zhour, Kazem, et al.
Published: (2024)
Challenges in the Theory and Atomistic Simulation of Metal Electrodeposition
by: Chaudhuri, Shayantan, et al.
Published: (2024)
by: Chaudhuri, Shayantan, et al.
Published: (2024)
Probing Vibronic Coherence in Charge Migration of Molecules Using Strong Field Sequential Double Ionization
by: Yuen, C. H., et al.
Published: (2023)
by: Yuen, C. H., et al.
Published: (2023)
Theoretical study on excited states of ICl+ molecular ion considering spin-orbit coupling
by: Li, Rui, et al.
Published: (2025)
by: Li, Rui, et al.
Published: (2025)
Triatomic Photoassociation in an Ultracold Atom-Molecule Collision
by: Elkamshishy, Ahmed A., et al.
Published: (2022)
by: Elkamshishy, Ahmed A., et al.
Published: (2022)
Tracking Microhydration of the NaCl Rocksalt Molecule in Helium Nanodroplets by Penning Ionization Electron Spectroscopy
by: Ltaief, Ltaief Ben, et al.
Published: (2025)
by: Ltaief, Ltaief Ben, et al.
Published: (2025)
Metallic solid-state hydrogen storage crystals achieved through chemical precompression under ambient conditions
by: Liu, Baiqiang, et al.
Published: (2025)
by: Liu, Baiqiang, et al.
Published: (2025)
Electron-pair densities with time-dependent quantum Monte-Carlo
by: Christov, Ivan P.
Published: (2013)
by: Christov, Ivan P.
Published: (2013)
Electronic matrix elements for parity doubling in YbOH molecule
by: Petrov, Alexander
Published: (2023)
by: Petrov, Alexander
Published: (2023)
Nonadiabatic Dynamics of Molecules Interacting with Metal Surfaces: Extending the Hierarchical Equations of Motion and Langevin Dynamics Approach to Position-Dependent Metal-Molecule Couplings
by: Mäck, Martin, et al.
Published: (2024)
by: Mäck, Martin, et al.
Published: (2024)
Neutral Barium in Solid Neon: Optical Spectroscopy and First Excited State Lifetime
by: Lippi, Alessandro, et al.
Published: (2025)
by: Lippi, Alessandro, et al.
Published: (2025)
Coherence of Symmetry-Protected Rotational Qubits in Cold Polyatomic Molecules
by: Löw, Maximilian, et al.
Published: (2024)
by: Löw, Maximilian, et al.
Published: (2024)
Collisional Cooling of Ultracold Molecules
by: Son, Hyungmok, et al.
Published: (2019)
by: Son, Hyungmok, et al.
Published: (2019)
Cavity-Enhanced High-order Harmonic Generation for High-Performance Time-resolved Photoemission Experiments
by: Allison, Thomas K., et al.
Published: (2024)
by: Allison, Thomas K., et al.
Published: (2024)
On the Onset of Coherent Phonon Motion in Peierls-Distorted Antimony by Attosecond Transient Absorption
by: Drescher, Lauren B., et al.
Published: (2023)
by: Drescher, Lauren B., et al.
Published: (2023)
Relativistic Exact Two-Component Coupled-Cluster Study of Molecular Sensitivity Factors for Nuclear Schiff Moments
by: Chen, Tianxiang, et al.
Published: (2024)
by: Chen, Tianxiang, et al.
Published: (2024)
Monolayer C$_{60}$ networks: A first-principles perspective
by: Peng, Bo, et al.
Published: (2025)
by: Peng, Bo, et al.
Published: (2025)
Electron recollisional excitation of OCS$^+$ in phase-locked $ω+ 2ω$ intense laser fields
by: Endo, Tomoyuki, et al.
Published: (2024)
by: Endo, Tomoyuki, et al.
Published: (2024)
Energy of a many-electron system in an ensemble ground-state, versus electron number and spin: piecewise-linearity and flat plane condition generalized
by: Goshen, Yuli, et al.
Published: (2023)
by: Goshen, Yuli, et al.
Published: (2023)
Influence of Pt/Ru ratios on the oxidation mechanism of MCrAlYTa coatings modified with Pt-Ru overlays
by: Hosseinzadeh, Majid, et al.
Published: (2025)
by: Hosseinzadeh, Majid, et al.
Published: (2025)
Spin migration in density functional theory: energy, potential and density perspectives
by: Hayman, Alon, et al.
Published: (2024)
by: Hayman, Alon, et al.
Published: (2024)
Electron-Photon Exchange-Correlation Approximation for QEDFT
by: Lu, I-Te, et al.
Published: (2024)
by: Lu, I-Te, et al.
Published: (2024)
Electron capture induced fragmentation of CO$_2^{3+}$: Influence of projectile charge on sequential and concerted break-up pathways
by: Srivastav, Akash, et al.
Published: (2026)
by: Srivastav, Akash, et al.
Published: (2026)
Trapped-Ion Quantum Simulation of Electron Transfer Models with Tunable Dissipation
by: So, Visal, et al.
Published: (2024)
by: So, Visal, et al.
Published: (2024)
Ab Initio Calculations of the Static and Dynamic Polarizability of BaOH
by: Prinsen, E. H., et al.
Published: (2025)
by: Prinsen, E. H., et al.
Published: (2025)
Similar Items
-
First-Principles Understanding of Vibrational Energy Transfer in Molecule-Surface Scattering: Both Adiabatic and Nonadiabatic Channels Matter
by: Meng, Gang, et al.
Published: (2025) -
Nonadiabatic Quantum Dynamics of Molecules Scattering from Metal Surfaces
by: Preston, Riley J., et al.
Published: (2024) -
Vibrational Strong Coupling of Ro-Vibrational States of Gaseous N2O Molecules
by: Kadyan, Akhila, et al.
Published: (2024) -
Group Conductivity and Nonadiabatic Born Effective Charges of Disordered Metals, Warm Dense Matter, and Hot Dense Plasma
by: Sharma, Vidushi, et al.
Published: (2024) -
Nonadiabatic corrections to electric quadrupole transition rates in H$_2$
by: Pachucki, Krzysztof, et al.
Published: (2025)