Related references
Note: Only part of the references are listed.Conical intersections and strong nonadiabatic coupling effects in singlet-excited acetylene:: An ab initio quantum dynamical study
Horst Koeppel et al.
CHEMICAL PHYSICS (2008)
Phonon-driven ultrafast exciton dissociation at donor-acceptor polymer heterojunctions
Hiroyuki Tamura et al.
PHYSICAL REVIEW LETTERS (2008)
Proton transfer reactions in model condensed-phase environments: Accurate quantum dynamics using the multilayer multiconfiguration time-dependent Hartree approach
Ian R. Craig et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
The photodissociation of ozone: A quasi-classical approach to a quantum dynamics problem
Thomas J. Penfold et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2007)
Photoinduced nonadiabatic dynamics of ethene: Six-dimensional wave packet propagations using two different approximations of the kinetic energy operators
Michael R. Brill et al.
CHEMICAL PHYSICS (2007)
Multi-state vibronic interactions in the fluorobenzene radical cation:: The importance of quadratic coupling terms
Etienne Gindenspetger et al.
CHEMICAL PHYSICS (2007)
Using photoelectron spectroscopy to unravel the excited-state dynamics of benzene
G. A. Worth et al.
CHEMICAL PHYSICS (2007)
Quantum dynamics of photoinduced electron-transfer reactions in dye-semiconductor systems:: First-principles description and application to coumarin 343-TiO2
Ivan Kondov et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
A model Hamiltonian to simulate the complex photochemistry of benzene
G. A. Worth
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2007)
Multimode Jahn-Teller and pseudo-Jahn-Teller interactions in the cyclopropane radical cation:: Complex vibronic spectra and nonradiative decay dynamics
T. S. Venkatesan et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
Ioan Baldea et al.
CHEMICAL PHYSICS (2006)
Applying the vibronic coupling model Hamiltonian to the photoelectron spectrum of cyclobutadiene
S. Saddique et al.
CHEMICAL PHYSICS (2006)
Femtosecond laser pulse control of multidimensional vibrational dynamics: Computational studies on the pyrazine molecule
Luxia Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Photoionization-induced dynamics of ammonia:: Ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation
A Viel et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Short-time dynamics through conical intersections in macrosystems. II. Applications
E Gindensperger et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Short-time dynamics through conical intersections in macrosystems. I. Theory: Effective-mode formulation
E Gindensperger et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Wavepacket dynamics study of Cr(CO)5 after formation by photodissociation:: relaxation through an (E ⊕ A) ⊗ e Jahn-Teller conical intersection
GA Worth et al.
MOLECULAR PHYSICS (2006)
The concept of regularized diabatic states for a general conical intersection
H Köppel et al.
MOLECULAR PHYSICS (2006)
Multistate multimode vibronic dynamics:: Entanglement of electronic and vibrational degrees of freedom in the benzene radical cation -: art. no. 064101
I Bâldea et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs:: The role of electron-driven proton-transfer processes
AL Sobolewski et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Simulation of a complex spectrum:: Interplay of five electronic states and 21 vibrational degrees of freedom in C5H+4 -: art. no. 204310
A Markmann et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Higher order (A+E)⊗e pseudo-Jahn-Teller coupling -: art. no. 204317
W Eisfeld et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Allene and pentatetraene cations as models for intramolecular charge transfer: Vibronic coupling Hamiltonian and conical intersections
A Markmann et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Short-time dynamics through conical intersections in macrosystems
LS Cederbaum et al.
PHYSICAL REVIEW LETTERS (2005)
Effects of higher order Jahn-Teller coupling on the nuclear dynamics
A Viel et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Theoretical study of excitations in furan:: Spectra and molecular dynamics
EV Gromov et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepackets
GA Worth et al.
FARADAY DISCUSSIONS (2004)
Multiconfigurational system-bath dynamics using Gaussian wave packets: Energy relaxation and decoherence induced by a finite-dimensional bath
I Burghardt et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Multilayer formulation of the multiconfiguration time-dependent Hartree theory
HB Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent Hartree method
HD Meyer et al.
THEORETICAL CHEMISTRY ACCOUNTS (2003)
Nonadiabatic dynamics: A comparison of surface hopping direct dynamics with quantum wavepacket calculations
GA Worth et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Full quantum mechanical molecular dynamics using Gaussian wavepackets
GA Worth et al.
CHEMICAL PHYSICS LETTERS (2003)
Accurate quantum dynamics of a combustion reaction:: Thermal rate constants of O(3P)+CH4(X1A1)→OH(X2Π)+CH3(X2A2)
F Huarte-Larrañaga et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Multistate vibronic interactions in the benzene radical cation.: I.: Electronic structure calculations
M Döscher et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Multistate vibronic interactions in the benzene radical cation.: II.: Quantum dynamical simulations
H Köppel et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Vibrational excitation in the transition state:: The CH4+H→CH3+H2 reaction rate constant in an extended temperature interval
F Huarte-Larrañaga et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Excited-state hydrogen detachment and hydrogen transfer driven by repulsive (1)pi sigma* states: A new paradigm for nonradiative decay in aromatic biomolecules
AL Sobolewski et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
Electron transfer along a conjugated chain: the allene radical cation
GA Worth et al.
CHEMICAL PHYSICS LETTERS (2001)
Multidimensional quantum propagation with the help of coupled coherent states
DV Shalashilin et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
All mode dynamics at the conical intersection of an octa-atomic molecule: Multi-configuration time-dependent Hartree (MCTDH) investigation on the butatriene cation
C Cattarius et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Basis set approach to the quantum dissipative dynamics: Application of the multiconfiguration time-dependent Hartree method to the spin-boson problem
HB Wang
JOURNAL OF CHEMICAL PHYSICS (2000)
Conical intersections, pseudorotation and coherent oscillations in ultrafast photodissociation of group-6 metal hexacarbonyls
SA Trushin et al.
CHEMICAL PHYSICS (2000)
Nonadiabatic trajectories at an exhibition
MD Hack et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Quantum-mechanical modeling of the femtosecond isomerization in rhodopsin
S Hahn et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)
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)