4.2 Article

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

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

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

Martin Richter et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Physical

Including quantum decoherence in surface hopping

Giovanni Granucci et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Multidisciplinary Sciences

Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

Mario Barbatti et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)

Article Chemistry, Physical

Bond breaking in light-induced potentials

Bo Y. Chang et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

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

Bo Y. Chang et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

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

Neil Shenvi

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Non-Born-Oppenheimer electronic and nuclear wavepacket dynamics

Takehiro Yonehara et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Review Chemistry, Physical

Photodynamics in Complex Environments: Ab Initio Multiple Spawning Quantum Mechanical/Molecular Mechanical Dynamics

Aaron M. Virshup et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Article Chemistry, Physical

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

Benjamin G. Levine et al.

CHEMICAL PHYSICS (2008)

Review Chemistry, Physical

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

G. A. Worth et al.

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2008)

Article Chemistry, Physical

On-the-fly, electric-field-driven, coupled electron-nuclear dynamics

Garth A. Jones et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Review Chemistry, Physical

Variational quantum approaches for computing vibrational energies of polyatomic molecules

Joel M. Bowman et al.

MOLECULAR PHYSICS (2008)

Review Chemistry, Physical

Femtosecond quantum control of molecular dynamics in the condensed phase

Patrick Nuernberger et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Quantum control of spin-orbit coupling by dynamic Stark-shifts induced by laser fields

Jesus Gonzalez-Vazquez et al.

CHEMICAL PHYSICS LETTERS (2006)

Article Multidisciplinary Sciences

Dynamic stark control of photochemical processes

Benjamin J. Sussman et al.

SCIENCE (2006)

Article Chemistry, Physical

Complete local control of molecular excited state photo-fragmentation

Philipp Marquetand et al.

CHEMICAL PHYSICS LETTERS (2006)

Article Chemistry, Physical

Investigation of the dynamics of two coupled oscillators with mixed quantum-classical methods

Jingrui Li et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Conical intersections in solution: non-equilibrium versus equilibrium solvation

R Spezia et al.

MOLECULAR PHYSICS (2006)

Article Chemistry, Physical

Local control of the quantum dynamics in multiple potential wells -: art. no. 054325

P Marquetand et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Optics

Strong field quantum control by selective population of dressed states

M Wollenhaupt et al.

JOURNAL OF OPTICS B-QUANTUM AND SEMICLASSICAL OPTICS (2005)

Article Chemistry, Physical

Predissociation and dissociation dynamics in quantum control fields

P Marquetand et al.

CHEMICAL PHYSICS LETTERS (2005)

Article Optics

Semiclassical nonadiabatic dynamics with quantum trajectories

VA Rassolov et al.

PHYSICAL REVIEW A (2005)

Article Chemistry, Physical

Importance of intersystem crossing in the S(3P,1D)+H2→SH+H reaction

B Maiti et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

Review Physics, Multidisciplinary

Coherent control of molecular dynamics

M Shapiro et al.

REPORTS ON PROGRESS IN PHYSICS (2003)

Article Multidisciplinary Sciences

Deciphering the reaction dynamics underlying optimal control laser fields

C Daniel et al.

SCIENCE (2003)

Review Physics, Multidisciplinary

The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets

MH Beck et al.

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2000)