Regarding the validity of the time-dependent Kohn–Sham approach for electron-nuclear dynamics via trajectory surface hopping

First-order nonadiabatic couplings from time-dependent hybrid density functional response theory: Consistent formalism, implementation, and performance

(2010) Robert Send et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initiostudy of phonon-induced dephasing of plasmon excitations in silver quantum dots

(2010) Zhenyu Guo et al.   PHYSICAL REVIEW B

Phonon-Induced Dephasing of Excitons in Semiconductor Quantum Dots: Multiple Exciton Generation, Fission, and Luminescence

(2009) Angeline B. Madrid et al.   ACS Nano

Ultrafast Photoinduced Processes in Alizarin-Sensitized Metal Oxide Mesoporous Films

(2009) Lars Dworak et al.   CHEMPHYSCHEM

Nonadiabatic coupling vectors within linear response time-dependent density functional theory

(2009) Ivano Tavernelli et al.   JOURNAL OF CHEMICAL PHYSICS

Ab Initio Excited State Properties and Dynamics of a Prototype σ-Bridged-Donor−Acceptor Molecule

(2009) Enrico Tapavicza et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Time-Domain Ab Initio Study of Nonradiative Decay in a Narrow Graphene Ribbon

(2009) Bradley F. Habenicht et al.   Journal of Physical Chemistry C

Evidence of Multiple Electron Injection and Slow Back Electron Transfer in Alizarin-Sensitized Ultrasmall TiO2 Particles

(2009) Sreejith Kaniyankandy et al.   Journal of Physical Chemistry C

Breaking the Phonon Bottleneck in PbSe and CdSe Quantum Dots: Time-Domain Density Functional Theory of Charge Carrier Relaxation

(2008) Svetlana V. Kilina et al.   ACS Nano

Multiple excitons and the electron–phonon bottleneck in semiconductor quantum dots: An ab initio perspective

(2008) Oleg V. Prezhdo   CHEMICAL PHYSICS LETTERS

Quantum Drude friction for time-dependent density functional theory

(2008) Daniel Neuhauser et al.   JOURNAL OF CHEMICAL PHYSICS

Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry

(2008) Enrico Tapavicza et al.   JOURNAL OF CHEMICAL PHYSICS

Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations

(2008) Sheng Meng et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamical Simulation of Photoinduced Electron Transfer Reactions in Dye−Semiconductor Systems with Different Anchor Groups

(2008) Jingrui Li et al.   Journal of Physical Chemistry C

Efficient Formalism for Large-ScaleAb InitioMolecular Dynamics based on Time-Dependent Density Functional Theory

(2008) J. L. Alonso et al.   PHYSICAL REVIEW LETTERS

Nonradiative Quenching of Fluorescence in a Semiconducting Carbon Nanotube: A Time-DomainAb InitioStudy

(2008) Bradley F. Habenicht et al.   PHYSICAL REVIEW LETTERS