标题
Perspective: Nonadiabatic dynamics theory
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 137, Issue 22, Pages 22A301
出版商
AIP Publishing
发表日期
2012-10-16
DOI
10.1063/1.4757762
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。- Role of Conical Intersections in Molecular Spectroscopy and Photoinduced Chemical Dynamics
- (2012) Wolfgang Domcke et al. Annual Review of Physical Chemistry
- Decoherence induced by conical intersections: Complexity constrained quantum dynamics of photoexcited pyrazine
- (2012) Till Westermann et al. JOURNAL OF CHEMICAL PHYSICS
- Nonlinear dimensionality reduction for nonadiabatic dynamics: The influence of conical intersection topography on population transfer rates
- (2012) Aaron M. Virshup et al. JOURNAL OF CHEMICAL PHYSICS
- Nonadiabatic quantum Liouville and master equations in the adiabatic basis
- (2012) Seogjoo Jang JOURNAL OF CHEMICAL PHYSICS
- Photoisomerization for a model protonated Schiff base in solution: Sloped/peaked conical intersection perspective
- (2012) João Pedro Malhado et al. JOURNAL OF CHEMICAL PHYSICS
- Path integral Monte Carlo with importance sampling for excitons interacting with an arbitrary phonon bath
- (2012) Sangwoo Shim et al. JOURNAL OF CHEMICAL PHYSICS
- Density matrix treatment of non-adiabatic photoinduced electron transfer at a semiconductor surface
- (2012) David A. Micha JOURNAL OF CHEMICAL PHYSICS
- Photochemistry in a dense manifold of electronic states: Photodissociation of CH2ClBr
- (2012) Rosendo Valero et al. JOURNAL OF CHEMICAL PHYSICS
- Surface hopping trajectory simulations with spin-orbit and dynamical couplings
- (2012) Giovanni Granucci et al. JOURNAL OF CHEMICAL PHYSICS
- Non-adiabatic molecular dynamics with complex quantum trajectories. I. The diabatic representation
- (2012) Noa Zamstein et al. JOURNAL OF CHEMICAL PHYSICS
- Non-adiabatic molecular dynamics with complex quantum trajectories. II. The adiabatic representation
- (2012) Noa Zamstein et al. JOURNAL OF CHEMICAL PHYSICS
- On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest method
- (2012) Kenichiro Saita et al. JOURNAL OF CHEMICAL PHYSICS
- Consistent schemes for non-adiabatic dynamics derived from partial linearized density matrix propagation
- (2012) Pengfei Huo et al. JOURNAL OF CHEMICAL PHYSICS
- Achieving partial decoherence in surface hopping through phase correction
- (2012) Neil Shenvi et al. 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
- How to recover Marcus theory with fewest switches surface hopping: Add just a touch of decoherence
- (2012) Brian R. Landry et al. JOURNAL OF CHEMICAL PHYSICS
- Decoherence-induced surface hopping
- (2012) Heather M. Jaeger et al. JOURNAL OF CHEMICAL PHYSICS
- Quasi-diabatic representations of adiabatic potential energy surfaces coupled by conical intersections including bond breaking: A more general construction procedure and an analysis of the diabatic representation
- (2012) Xiaolei Zhu et al. JOURNAL OF CHEMICAL PHYSICS
- Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer
- (2012) Felix Plasser et al. JOURNAL OF CHEMICAL PHYSICS
- Fewest-Switches Surface Hopping and Decoherence in Multiple Dimensions
- (2011) Joseph E. Subotnik JOURNAL OF PHYSICAL CHEMISTRY A
- Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulations
- (2011) Basile F. E. Curchod et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The Diabatic Picture of Electron Transfer, Reaction Barriers, and Molecular Dynamics
- (2010) Troy Van Voorhis et al. Annual Review of Physical Chemistry
- Including quantum decoherence in surface hopping
- (2010) Giovanni Granucci et al. JOURNAL OF CHEMICAL PHYSICS
- Nonadiabatic dynamics at metal surfaces: Independent-electron surface hopping
- (2009) Neil Shenvi et al. JOURNAL OF CHEMICAL PHYSICS
- Photoinduced Nonadiabatic Dynamics of Pyrimidine Nucleobases: On-the-Fly Surface-Hopping Study with Semiempirical Methods
- (2009) Zhenggang Lan et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Mixed quantum-classical equilibrium: Surface hopping
- (2008) J. R. Schmidt et al. JOURNAL OF CHEMICAL PHYSICS
- Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry†
- (2008) Sharon Hammes-Schiffer et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Photodynamics in Complex Environments:Ab InitioMultiple Spawning Quantum Mechanical/Molecular Mechanical Dynamics†
- (2008) Aaron M. Virshup et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Efficient Formalism for Large-ScaleAb InitioMolecular Dynamics based on Time-Dependent Density Functional Theory
- (2008) J. L. Alonso et al. PHYSICAL REVIEW LETTERS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now