标题
Mixed quantum-classical dynamics for charge transport in organics
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 17, Issue 19, Pages 12395-12406
出版商
Royal Society of Chemistry (RSC)
发表日期
2015-03-09
DOI
10.1039/c5cp00485c
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- Global Flux Surface Hopping Approach for Mixed Quantum-Classical Dynamics
- (2014) Linjun Wang et al. Journal of Chemical Theory and Computation
- Ultrafast Estimation of Electronic Couplings for Electron Transfer between π-Conjugated Organic Molecules
- (2014) Fruzsina Gajdos et al. Journal of Chemical Theory and Computation
- Nonadiabatic Molecular Dynamics Modeling of the Intrachain Charge Transport in Conjugated Diketopyrrolo-pyrrole Polymers
- (2014) Xing Gao et al. Journal of Physical Chemistry C
- A Simple Solution to the Trivial Crossing Problem in Surface Hopping
- (2014) Linjun Wang et al. Journal of Physical Chemistry Letters
- Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide Interfaces
- (2013) Alexey V. Akimov et al. CHEMICAL REVIEWS
- Charge transport in organic semiconductors: Assessment of the mean field theory in the hopping regime
- (2013) Linjun Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Quantized Hamiltonian dynamics captures the low-temperature regime of charge transport in molecular crystals
- (2013) Linjun Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Flexible Surface Hopping Approach to Model the Crossover from Hopping to Band-like Transport in Organic Crystals
- (2013) Linjun Wang et al. Journal of Physical Chemistry Letters
- Nonadiabatic molecular dynamics simulation for carrier transport in a pentathiophene butyric acid monolayer
- (2013) Junfeng Ren et al. PHYSICAL REVIEW B
- Small molecule semiconductors for high-efficiency organic photovoltaics
- (2012) Yuze Lin et al. CHEMICAL SOCIETY REVIEWS
- Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules
- (2012) Sebastian Fernandez-Alberti et al. JOURNAL OF CHEMICAL PHYSICS
- Decoherence-induced surface hopping
- (2012) Heather M. Jaeger et al. JOURNAL OF CHEMICAL PHYSICS
- Charge transport in high mobility molecular semiconductors: classical models and new theories
- (2011) Alessandro Troisi CHEMICAL SOCIETY REVIEWS
- Mixed quantum-classical simulations of charge transport in organic materials: Numerical benchmark of the Su-Schrieffer-Heeger model
- (2011) Linjun Wang et al. JOURNAL OF CHEMICAL PHYSICS
- A new approach to decoherence and momentum rescaling in the surface hopping algorithm
- (2011) Joseph E. Subotnik et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Standard surface hopping predicts incorrect scaling for Marcus’ golden-rule rate: The decoherence problem cannot be ignored
- (2011) Brian R. Landry et al. JOURNAL OF CHEMICAL PHYSICS
- Effect of dynamic disorder on charge transport along a pentacene chain
- (2011) J. Böhlin et al. PHYSICAL REVIEW B
- Evaluation of Charge Mobility in Organic Materials: From Localized to Delocalized Descriptions at a First-Principles Level
- (2010) Zhigang Shuai et al. ADVANCED MATERIALS
- Electron localization and the transition from adiabatic to nonadiabatic charge transport in organic conductors
- (2010) Sven Stafström CHEMICAL SOCIETY REVIEWS
- Communications: A nonperturbative quantum master equation approach to charge carrier transport in organic molecular crystals
- (2010) Dong Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Charge transport in organic crystals: Theory and modelling
- (2010) Frank Ortmann et al. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
- Multiscale study of charge mobility of organic semiconductor with dynamic disorders
- (2010) Linjun Wang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Phonon-Induced Dephasing of Excitons in Semiconductor Quantum Dots: Multiple Exciton Generation, Fission, and Luminescence
- (2009) Angeline B. Madrid et al. ACS Nano
- Computational methods for design of organic materials with high charge mobility
- (2009) Linjun Wang et al. CHEMICAL SOCIETY REVIEWS
- Theory of charge transport in organic crystals: Beyond Holstein’s small-polaron model
- (2009) Frank Ortmann et al. PHYSICAL REVIEW B
- Charge Transport in Semiconductors with Multiscale Conformational Dynamics
- (2009) Alessandro Troisi et al. PHYSICAL REVIEW LETTERS
- Dendritic macromolecules for organic light-emitting diodes
- (2008) Seok-Ho Hwang et al. CHEMICAL SOCIETY REVIEWS
- Effects of pressure and temperature on the carrier transports in organic crystal: A first-principles study
- (2008) L. J. Wang et al. JOURNAL OF CHEMICAL PHYSICS
- A unified theory for charge-carrier transport in organic crystals
- (2008) Yuan-Chung Cheng et al. JOURNAL OF CHEMICAL PHYSICS
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