Quick Navigation

Overview Topics Abstract Importance Paper Tools References Reactions Discussion Publication Related

Topics

Quantum Simulation Quantum Chemistry

Nonadiabatic molecular dynamics simulation: An approach based on quantum measurement picture

arXiv
Authors: Wei Feng, Luting Xu, Xin-Qi Li, Weihai Fang, YiJing Yan

Year

2013

Paper ID

31376

Status

Preprint

Abstract Read

~2 min

Abstract Words

93

Citations

N/A

Abstract

Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for nonadiabatic molecular dynamics simulations. The new protocol provides a natural interface between the separate quantum and classical treatments, without invoking artificial surface hopping algorithm. Moreover, it also bridges two widely adopted nonadiabatic dynamics methods, the Ehrenfest mean-field theory and the trajectory surface-hopping method. Excellent agreement with the exact results is illustrated with representative model systems, including the challenging ones for traditional methods.

Why This Paper Matters

  • This paper contributes to the Quantum Simulation research area in the Quantum Articles archive.
  • It adds a 2013 reference point for readers tracking recent quantum research.
  • Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this...

Paper Tools

Become a member to use research tools

Sign in to open papers, visit source links, share, cite, compare, copy DOI links, request category corrections, and build your reading list.

Become a member Sign in
Show Paper arXiv Publisher Share Cite This Paper Copy URL Compare Copy DOI Add to Reading List Category Correction Request

References & Citation Signals

[1] DOI https://doi.org/arXiv:1312.4718 [2] arXiv https://arxiv.org/abs/1312.4718 [3] Publisher https://arxiv.org/abs/1312.4718

Local Citation Graph (Related-Paper Links)

Current Paper #31376 #68440 Classical State Preparation for... #68437 Transition-state lattice modes ... #68401 Quantum Ghost Spectroscopy Reve... #68474 Concentration-Free Quantum Kern...

External citation index: OpenAlex citation signal

Community Reactions

Quick sentiment from readers on this paper.

Score: 0
Likes: 0 Dislikes: 0

Sign in to react to this paper.

Discussion & Reviews (Moderated)

Average Rating: 0.0 / 5 (0 ratings)

No written reviews yet.