Non-adiabatic dynamics close to conical intersections and the surface hopping perspective

Interplay of radiative and nonradiative transitions in surface hopping with radiation-molecule interactions

(2014) Juan José Bajo et al.   JOURNAL OF CHEMICAL PHYSICS

An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces

(2014) Maurizio Persico et al.   THEORETICAL CHEMISTRY ACCOUNTS

The exact molecular wavefunction as a product of an electronic and a nuclear wavefunction

(2013) Lorenz S. Cederbaum   JOURNAL OF CHEMICAL PHYSICS

Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence

(2013) Joseph E. Subotnik et al.   JOURNAL OF CHEMICAL PHYSICS

Conical intersection structure and dynamics for a model protonated schiff base photoisomerization in solution

(2012) João Pedro Malhado et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Perspective: Quantum or classical coherence?

(2012) William H. Miller   JOURNAL OF CHEMICAL PHYSICS

Ring polymer molecular dynamics with surface hopping

(2012) Philip Shushkov et al.   JOURNAL OF CHEMICAL PHYSICS

Towards converging non-adiabatic direct dynamics calculations using frozen-width variational Gaussian product basis functions

(2012) David Mendive-Tapia et al.   JOURNAL OF CHEMICAL PHYSICS

Decoherence-induced surface hopping

(2012) Heather M. Jaeger et al.   JOURNAL OF CHEMICAL PHYSICS

On the quantum theory of molecules

(2012) Brian T. Sutcliffe et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic Events and Conical Intersections

(2011) Spiridoula Matsika et al.   Annual Review of Physical Chemistry

Fundamental Approaches to Nonadiabaticity: Toward a Chemical Theory beyond the Born–Oppenheimer Paradigm

(2011) Takehiro Yonehara et al.   CHEMICAL REVIEWS

Nonadiabatic Quantum Chemistry—Past, Present, and Future

(2011) David R. Yarkony   CHEMICAL REVIEWS

A new approach to decoherence and momentum rescaling in the surface hopping algorithm

(2011) Joseph E. Subotnik et al.   JOURNAL OF CHEMICAL PHYSICS

Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction

(2011) Neil Shenvi et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules

(2011) Tammie Nelson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nonadiabatic dynamics with trajectory surface hopping method

(2011) Mario Barbatti   Wiley Interdisciplinary Reviews-Computational Molecular Science

Including quantum decoherence in surface hopping

(2010) Giovanni Granucci et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamical Friction Effects on the Photoisomerization of a Model Protonated Schiff Base in Solution

(2010) João Pedro Malhado et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Conical intersection dynamics of the primary photoisomerization event in vision

(2010) Dario Polli et al.   NATURE

Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach

(2009) Fabien Gatti et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Mixed quantum-classical equilibrium: Surface hopping

(2008) J. R. Schmidt et al.   JOURNAL OF CHEMICAL PHYSICS

Gaussian-based techniques for quantum propagation from the time-dependent variational principle: Formulation in terms of trajectories of coupled classical and quantum variables

(2008) Dmitrii V. Shalashilin et al.   JOURNAL OF CHEMICAL PHYSICS

On the Extent and Connectivity of Conical Intersection Seams and the Effects of Three-State Intersections

(2008) Joshua D. Coe et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A new formulation of the phase change approach in the theory of conical intersections

(2007) Stefano Vanni et al.   CHEMICAL PHYSICS

On the Landau–Zener approach to nonadiabatic transitions for a vertical conical intersection

(2007) João Pedro Malhado et al.   CHEMICAL PHYSICS