Coherent state mapping ring polymer molecular dynamics for non-adiabatic quantum propagations
出版年份 2017 全文链接
标题
Coherent state mapping ring polymer molecular dynamics for non-adiabatic quantum propagations
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 147, Issue 21, Pages 214109
出版商
AIP Publishing
发表日期
2017-12-07
DOI
10.1063/1.4995616
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Path integral molecular dynamics with surface hopping for thermal equilibrium sampling of nonadiabatic systems
- (2017) Jianfeng Lu et al. JOURNAL OF CHEMICAL PHYSICS
- Ring Polymer Surface Hopping: Incorporating Nuclear Quantum Effects into Nonadiabatic Molecular Dynamics Simulations
- (2017) Farnaz A. Shakib et al. Journal of Physical Chemistry Letters
- Understanding the Surface Hopping View of Electronic Transitions and Decoherence
- (2016) Joseph E. Subotnik et al. Annual Review of Physical Chemistry
- Mean field ring polymer molecular dynamics for electronically nonadiabatic reaction rates
- (2016) Jessica Ryan Duke et al. FARADAY DISCUSSIONS
- Deriving the exact nonadiabatic quantum propagator in the mapping variable representation
- (2016) Timothy J. H. Hele et al. FARADAY DISCUSSIONS
- Non-adiabatic reactions: general discussion
- (2016) Stuart C. Althorpe et al. FARADAY DISCUSSIONS
- Classical molecular dynamics simulation of electronically non-adiabatic processes
- (2016) William H. Miller et al. FARADAY DISCUSSIONS
- A unified theoretical framework for mapping models for the multi-state Hamiltonian
- (2016) Jian Liu JOURNAL OF CHEMICAL PHYSICS
- Recent Progress in Surface Hopping: 2011–2015
- (2016) Linjun Wang et al. Journal of Physical Chemistry Letters
- Mean field ring polymer molecular dynamics for electronically nonadiabatic reaction rates
- (2016) Jessica Ryan Duke et al. FARADAY DISCUSSIONS
- Deriving the exact nonadiabatic quantum propagator in the mapping variable representation
- (2016) Timothy J. H. Hele et al. FARADAY DISCUSSIONS
- Non-adiabatic reactions: general discussion
- (2016) Stuart C. Althorpe et al. FARADAY DISCUSSIONS
- Classical molecular dynamics simulation of electronically non-adiabatic processes
- (2016) William H. Miller et al. FARADAY DISCUSSIONS
- Boltzmann-conserving classical dynamics in quantum time-correlation functions: “Matsubara dynamics”
- (2015) Timothy J. H. Hele et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamics
- (2015) Timothy J. H. Hele et al. JOURNAL OF CHEMICAL PHYSICS
- A Symmetrical Quasi-Classical Spin-Mapping Model for the Electronic Degrees of Freedom in Non-Adiabatic Processes
- (2015) Stephen J. Cotton et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Quantum dynamics in open quantum-classical systems
- (2015) Raymond Kapral JOURNAL OF PHYSICS-CONDENSED MATTER
- Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions
- (2014) Artur R. Menzeleev et al. JOURNAL OF CHEMICAL PHYSICS
- Ring-Polymer Molecular Dynamics: Quantum Effects in Chemical Dynamics from Classical Trajectories in an Extended Phase Space
- (2013) Scott Habershon et al. Annual Review of Physical Chemistry
- Application of ring-polymer molecular dynamics to electronically nonadiabatic excess electron dynamics in water clusters: Importance of nuclear quantum effects
- (2013) Takehiro Yoshikawa et al. CHEMICAL PHYSICS LETTERS
- Direct simulation of proton-coupled electron transfer across multiple regimes
- (2013) Joshua S. Kretchmer et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Predictive partial linearized path integral simulation of condensed phase electron transfer dynamics
- (2013) Pengfei Huo et al. JOURNAL OF CHEMICAL PHYSICS
- Analysis of the forward-backward trajectory solution for the mixed quantum-classical Liouville equation
- (2013) Chang-Yu Hsieh et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Nonadiabatic ring-polymer molecular dynamics
- (2013) Jeremy O. Richardson et al. JOURNAL OF CHEMICAL PHYSICS
- Mapping variable ring polymer molecular dynamics: A path-integral based method for nonadiabatic processes
- (2013) Nandini Ananth JOURNAL OF CHEMICAL PHYSICS
- Nonadiabatic dynamics in open quantum-classical systems: Forward-backward trajectory solution
- (2012) Chang-Yu Hsieh et al. JOURNAL OF CHEMICAL PHYSICS
- Ring polymer molecular dynamics with surface hopping
- (2012) Philip Shushkov et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective: Nonadiabatic dynamics theory
- (2012) John C. Tully JOURNAL OF CHEMICAL PHYSICS
- Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods
- (2011) Artur R. Menzeleev et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Partial linearized density matrix dynamics for dissipative, non-adiabatic quantum evolution
- (2011) Pengfei Huo et al. JOURNAL OF CHEMICAL PHYSICS
- Zero point energy leakage in condensed phase dynamics: An assessment of quantum simulation methods for liquid water
- (2010) Scott Habershon et al. JOURNAL OF CHEMICAL PHYSICS
- Exact quantum statistics for electronically nonadiabatic systems using continuous path variables
- (2010) Nandini Ananth et al. JOURNAL OF CHEMICAL PHYSICS
- Electronically Nonadiabatic Dynamics via Semiclassical Initial Value Methods
- (2009) William H. Miller JOURNAL OF PHYSICAL CHEMISTRY A
- Mixed quantum-classical equilibrium: Surface hopping
- (2008) J. R. Schmidt et al. JOURNAL OF CHEMICAL PHYSICS
- Quantum-classical Liouville dynamics in the mapping basis
- (2008) Hyojoon Kim et al. JOURNAL OF CHEMICAL PHYSICS
- Trotter-Based Simulation of Quantum-Classical Dynamics†
- (2007) Dónal Mac Kernan et al. JOURNAL OF PHYSICAL CHEMISTRY B
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