Nonadiabatic ab initio molecular dynamics including spin–orbit coupling and laser fields

SHARC:ab InitioMolecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings

(2011) Martin Richter et al.   Journal of Chemical Theory and Computation

A Time-Dependent Picture of the Ultrafast Deactivation of keto-Cytosine Including Three-State Conical Intersections

(2010) Jesús González-Vázquez et al.   CHEMPHYSCHEM

Non-Born–Oppenheimer quantum chemistry on the fly with continuous path branching due to nonadiabatic and intense optical interactions

(2010) Takehiro Yonehara et al.   JOURNAL OF CHEMICAL PHYSICS

Including quantum decoherence in surface hopping

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

Mixed quantum-classical dynamics with time-dependent external fields: A time-dependent density-functional-theory approach

(2010) Ivano Tavernelli et al.   PHYSICAL REVIEW A

Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

(2010) M. Barbatti et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Bond breaking in light-induced potentials

(2009) Bo Y. Chang et al.   JOURNAL OF CHEMICAL PHYSICS

Further aspects on the control of photodissociation in light-induced potentials

(2009) Bo Y. Chang et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2009) Neil Shenvi   JOURNAL OF CHEMICAL PHYSICS

Non-Born–Oppenheimer electronic and nuclear wavepacket dynamics

(2009) Takehiro Yonehara et al.   JOURNAL OF CHEMICAL PHYSICS

Implementation of ab initio multiple spawning in the Molpro quantum chemistry package

(2008) Benjamin G. Levine et al.   CHEMICAL PHYSICS

Using the MCTDH wavepacket propagation method to describe multimode non-adiabatic dynamics

(2008) G. A. Worth et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

On-the-Fly, Electric-Field-Driven, Coupled Electron−Nuclear Dynamics

(2008) Garth A. Jones et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Photodynamics in Complex Environments:Ab InitioMultiple Spawning Quantum Mechanical/Molecular Mechanical Dynamics†

(2008) Aaron M. Virshup et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Variational quantum approaches for computing vibrational energies of polyatomic molecules

(2008) Joel M Bowman et al.   MOLECULAR PHYSICS

Mechanisms of double ionization in strong laser field from simulation with Coupled Coherent States: Beyond reduced dimensionality models

(2007) Dmitrii V. Shalashilin et al.   CHEMICAL PHYSICS