Local Control Theory in Trajectory Surface Hopping Dynamics Applied to the Excited-State Proton Transfer of 4-Hydroxyacridine

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

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

Trajectory-Based Nonadiabatic Dynamics with Time-Dependent Density Functional Theory

(2013) Basile F. E. Curchod et al.   CHEMPHYSCHEM

Local Control Theory using Trajectory Surface Hopping and Linear-Response Time-Dependent Density Functional Theory

(2013) Basile F. E. Curchod et al.   CHIMIA

On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping

(2013) Basile F. E. Curchod et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio non-adiabatic molecular dynamics

(2013) Enrico Tapavicza et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Coherently-controlled two-dimensional spectroscopy: Evidence for phase induced long-lived memory effects

(2011) Valentyn I. Prokhorenko et al.   FARADAY DISCUSSIONS

Optical manipulation of coherent phonons in superconducting YBa2Cu3O7−δ thin films

(2011) Yasuaki Okano et al.   FARADAY DISCUSSIONS

Local control of non-adiabatic dissociation dynamics

(2011) L. Bomble et al.   JOURNAL OF CHEMICAL PHYSICS

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

Local control theory in trajectory-based nonadiabatic dynamics

(2011) Basile F. E. Curchod et al.   PHYSICAL REVIEW A

A DFT-Based Theoretical Study on the Photophysics of 4-Hydroxyacridine: Single-Water-Mediated Excited State Proton Transfer

(2010) Bijan Kumar Paul et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Local control of multidimensional dynamics

(2010) T. J. Penfold et al.   PHYSICAL CHEMISTRY 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

How Shaped Light Discriminates Nearly Identical Biochromophores

(2010) Jens Petersen et al.   PHYSICAL REVIEW LETTERS

Femtosecond quantum control of molecular bond formation

(2010) P. Nuernberger et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Actively Tailored Spatiotemporal Images of Quantum Interference on the Picometer and Femtosecond Scales

(2009) Hiroyuki Katsuki et al.   PHYSICAL REVIEW LETTERS

Quantum Control of Tightly Competitive Product Channels

(2009) Matthias Roth et al.   PHYSICAL REVIEW LETTERS

Quantum Coherent Control for Nonlinear Spectroscopy and Microscopy

(2008) Yaron Silberberg   Annual Review of Physical Chemistry

Implementation of surface hopping molecular dynamics using semiempirical methods

(2008) E. Fabiano et al.   CHEMICAL PHYSICS

Nonadiabatic dynamics and simulation of time resolved photoelectron spectra within time-dependent density functional theory: Ultrafast photoswitching in benzylideneaniline

(2008) Roland Mitrić et al.   JOURNAL OF CHEMICAL PHYSICS

Solvent dependent excited state spectral properties of 4-hydroxyacridine: Evidence for only water mediated excited state proton transfer process

(2008) Rupashree Balia Singh et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

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

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