S
Sergei Tretiak
Researcher at Los Alamos National Laboratory
Publications - 475
Citations - 28719
Sergei Tretiak is an academic researcher from Los Alamos National Laboratory. The author has contributed to research in topics: Excited state & Density functional theory. The author has an hindex of 73, co-authored 415 publications receiving 23905 citations. Previous affiliations of Sergei Tretiak include European University of Brittany & University of Central Florida.
Papers
More filters
Journal ArticleDOI
Multiscale modeling of electronic excitations in branched conjugated molecules using an exciton scattering approach.
TL;DR: Electronic spectra for any structure of arbitrary size within the considered molecular family to be obtained with negligible numerical effort are obtained.
Journal ArticleDOI
Photoinduced Intra- and Intermolecular Energy Transfer in Chlorophyll a Dimer
TL;DR: For a single Chla, analysis of excitonic dynamics reveals wave function amplitude transfer from nitrogen and outer carbon atoms to inner carbon atoms during nonradiative relaxation.
Journal ArticleDOI
Optical Effects of Divalent Functionalization of Carbon Nanotubes
Brendan J. Gifford,Xiaowei He,Mijin Kim,Hyejin Kwon,Avishek Saha,Andrew E. Sifain,Andrew E. Sifain,YuHuang Wang,Han Htoon,Svetlana Kilina,Stephen K. Doorn,Sergei Tretiak +11 more
TL;DR: Covalent functionalization of single-walled carbon nanotubes (SWCNTs) enables tuning of their optical properties through the generation of sp3-hybridized defects with distinct localized morphology as discussed by the authors.
Journal ArticleDOI
Conformational disorder in energy transfer: beyond Förster theory
TL;DR: In this paper, the authors used the nonadiabatic excited state molecular dynamics (NA-ESMD) approach to simulate energy transfer between two polyphenylene vinylene (PPV) oligomers composed of 3-rings and 4-rings, respectively, separated by varying distances.
Journal ArticleDOI
Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients.
TL;DR: Variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects are described.