Related references
Note: Only part of the references are listed.Nonadiabatic couplings from time-dependent density functional theory. II. Successes and challenges of the pseudopotential approximation
Chunping Hu et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Nonadiabatic couplings from time-dependent density functional theory: Formulation in the Casida formalism and practical scheme within modified linear response
Chunping Hu et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Femtosecond electron-ion dynamics in excited nano-materials: Real-time propagation based on the time-dependent density functional theory
Yoshiyuki Miyamoto
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE (2007)
Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry
Luis Manuel Frutos et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Time-dependent density functional theory Ehrenfest dynamics: Collisions between atomic oxygen and graphite clusters
Christine M. Isborn et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Detailed dynamics of the photodissociation of cyclobutane
Yusheng Dou et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Trajectory surface hopping within linear response time-dependent density-functional theory
Enrico Tapavicza et al.
PHYSICAL REVIEW LETTERS (2007)
New theoretical investigations of the photodissociation of ozone in the Hartley, Huggins, Chappuis, and Wulf bands
S. Yu. Grebenshchikov et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Isomerization through conical intersections
Benjamin G. Levine et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY (2007)
Density functional for spectroscopy: No long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP for ground states
Yan Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Structural model of eumelanin
Efthimios Kaxiras et al.
PHYSICAL REVIEW LETTERS (2006)
Modified linear response for time-dependent density-functional theory: Application to Rydberg and charge-transfer excitations
Chunping Hu et al.
PHYSICAL REVIEW A (2006)
Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework
Chet Swalina et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Real-time, real-space implementation of the linear response time-dependent density-functional theory
K Yabana et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2006)
Real-time propagation time-dependent density functional theory study on the ring-opening transformation of the photoexcited crystalline benzene
Y Tateyama et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Electronic density response of liquid water using time-dependent density functional theory
I Tavernelli
PHYSICAL REVIEW B (2006)
Detailed balance in Ehrenfest mixed quantum-classical dynamics
PV Parandekar et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)
Conical intersections and double excitations in time-dependent density functional theory
BG Levine et al.
MOLECULAR PHYSICS (2006)
octopus: a tool for the application of time-dependent density functional theory
Alberto Castro et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2006)
Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics
CF Craig et al.
PHYSICAL REVIEW LETTERS (2005)
Time-dependent density functional theory: Past, present, and future
K Burke et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Recent development of self-interaction-free time-dependent density-functional theory for nonperturbative treatment of atomic and molecular multiphoton processes in intense laser fields
SI Chu
JOURNAL OF CHEMICAL PHYSICS (2005)
LAND-map, a linearized approach to nonadiabatic dynamics using the mapping formalism
S Bonella et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
A TDDFT study of the optical response of DNA bases, base pairs, and their tautomers in the gas phase
A Tsolakidis et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Molecular dynamics in electronically excited states using time-dependent density functional theory
I Tavernelli et al.
MOLECULAR PHYSICS (2005)
Excited states dynamics in time-dependent density functional theory - High-field molecular dissociation and harmonic generation
A Castro et al.
EUROPEAN PHYSICAL JOURNAL D (2004)
Propagators for the time-dependent Kohn-Sham equations
A Castro et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Characterization of the Fe(III)-binding site in Sepia eumelanin by resonance Raman confocal microspectroscopy
A Samokhvalov et al.
PHOTOCHEMISTRY AND PHOTOBIOLOGY (2004)
Semiclassical electron-radiation-ion dynamics (SERID) and cis-trans photoisomerization of butadiene
YS Dou et al.
JOURNAL OF MODERN OPTICS (2003)
Nonadiabatic dynamics: A comparison of surface hopping direct dynamics with quantum wavepacket calculations
GA Worth et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Photolysis of atmospheric ozone in the ultraviolet region
Y Matsumi et al.
CHEMICAL REVIEWS (2003)
Calculation of the optical response of atomic clusters using time-dependent density functional theory and local orbitals -: art. no. 235416
A Tsolakidis et al.
PHYSICAL REVIEW B (2002)
Non-adiabatic couplings by time-dependent density functional theory
R Baer
CHEMICAL PHYSICS LETTERS (2002)
The role of intersection topography in bond selectivity of cis-trans photoisomerization
M Ben-Nun et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)
Numerical atomic orbitals for linear-scaling calculations -: art. no. 235111
J Junquera et al.
PHYSICAL REVIEW B (2001)
Multicomponent density-functional theory for electrons and nuclei
T Kreibich et al.
PHYSICAL REVIEW LETTERS (2001)
Nuclear dynamics near conical intersections in the adiabatic representation: I. The effects of local topography on interstate transitions
DR Yarkony
JOURNAL OF CHEMICAL PHYSICS (2001)
Nonadiabatic trajectories at an exhibition
MD Hack et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
First-principles electron-ion dynamics of excited systems: H-terminated Si(111) surfaces
Y Miyamoto et al.
PHYSICAL REVIEW B (2000)
Density-matrix representation of nonadiabatic couplings in time-dependent density functional (TDDFT) theories
V Chernyak et al.
JOURNAL OF CHEMICAL PHYSICS (2000)