Measuring nonadiabaticity of molecular quantum dynamics with quantum fidelity and with its efficient semiclassical approximation

Optimizing adiabaticity in quantum mechanics

(2012) R. MacKenzie et al.   CANADIAN JOURNAL OF PHYSICS

Time-Resolved Electronic Spectra with Efficient Quantum Dynamics Methods

(2011) Marius Wehrle et al.   CHIMIA

Extended hydrodynamic approach to quantum-classical nonequilibrium evolution. I. Theory

(2011) David Bousquet 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

Semiclassical approach to fidelity amplitude

(2011) Ignacio García-Mata et al.   NEW JOURNAL OF PHYSICS

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

Initial-value representation for the Loschmidt echo

(2011) Eduardo Zambrano et al.   PHYSICAL REVIEW E

Beating the Efficiency of Both Quantum and Classical Simulations with a Semiclassical Method

(2011) Cesare Mollica et al.   PHYSICAL REVIEW LETTERS

Efficient evaluation of the accuracy of molecular quantum dynamics on an approximate analytical or interpolated ab initio potential energy surface

(2010) Tomáš Zimmermann et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Communications: Evaluation of the nondiabaticity of quantum molecular dynamics with the dephasing representation of quantum fidelity

(2010) Tomáš Zimmermann et al.   JOURNAL OF CHEMICAL PHYSICS

Including quantum decoherence in surface hopping

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

Nonadiabatic Nuclear Dynamics after Valence Ionization of H2O†

(2010) Matthis Eroms et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Universal Response of Quantum Systems with Chaotic Dynamics

(2010) Diego A. Wisniacki et al.   PHYSICAL REVIEW LETTERS

Linearization approximations and Liouville quantum–classical dynamics

(2009) Sara Bonella et al.   CHEMICAL PHYSICS LETTERS

Efficient evaluation of accuracy of molecular quantum dynamics using dephasing representation

(2009) Baiqing Li et al.   JOURNAL OF CHEMICAL PHYSICS

Phase-space surface hopping: Nonadiabatic dynamics in a superadiabatic basis

(2009) Neil Shenvi   JOURNAL OF CHEMICAL PHYSICS

Multiple coherent states for first-principles semiclassical initial value representation molecular dynamics

(2009) Michele Ceotto et al.   JOURNAL OF CHEMICAL PHYSICS

An “optimal” spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics

(2009) Sandy Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Electronically Nonadiabatic Dynamics via Semiclassical Initial Value Methods

(2009) William H. Miller   JOURNAL OF PHYSICAL CHEMISTRY A

Ab Initio Multiple Spawning Dynamics Using Multi-State Second-Order Perturbation Theory

(2009) Hongli Tao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Iterative linearized approach to nonadiabatic dynamics

(2008) E. R. Dunkel et al.   JOURNAL OF CHEMICAL PHYSICS

Trotter-Based Simulation of Quantum-Classical Dynamics†

(2007) Dónal Mac Kernan et al.   JOURNAL OF PHYSICAL CHEMISTRY B