scholarly journals On-the-fly ab initio semiclassical evaluation of time-resolved electronic spectra

2018 ◽  
Vol 149 (24) ◽  
pp. 244115 ◽  
Author(s):  
Tomislav Begušić ◽  
Julien Roulet ◽  
Jiří Vaníček
Keyword(s):  
Ab Initio ◽  
Electronic Spectra ◽  
Time Resolved

Ab Initio Quasiclassical Simulation of Femtosecond Time-Resolved Two-Dimensional Electronic Spectra of Pyrazine

2021 ◽  
pp. 11736-11744
Author(s):  
Xiang Huang ◽  
Weiwei Xie ◽  
Nađa Došlić ◽  
Maxim F. Gelin ◽  
Wolfgang Domcke
Keyword(s):  
Ab Initio ◽  
Electronic Spectra ◽  
Two Dimensional ◽  
Time Resolved

Unveiling anharmonic coupling by means of excited state ab initio dynamics: application to diarylethene photoreactivity

2019 ◽  
Vol 21 (7) ◽  
pp. 3606-3614 ◽  
Author(s):  
Maria Gabriella Chiariello ◽  
Umberto Raucci ◽  
Federico Coppola ◽  
Nadia Rega
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Vibrational Analysis ◽  
Time Resolved ◽  
Anharmonic Coupling ◽  
New Time

We adopted excited state ab initio dynamics and a new time resolved vibrational analysis to unveil coupling between modes promoting photorelaxation.

Ab initio calculations of electronic spectra of H2S and H2S2

1997 ◽  
Vol 214 (1) ◽  
pp. 81-89 ◽  
Author(s):  
Marjorie Pericou-Cayere ◽  
Michel Gelize ◽  
Alain Dargelos
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic Spectra

Ab Initio Calculation of the Vibrational and Electronic Spectra oftrans- andcis-Azobenzene

2003 ◽  
Vol 125 (32) ◽  
pp. 9821-9827 ◽  
Author(s):  
Heike Fliegl ◽  
Andreas Köhn ◽  
Christof Hättig ◽  
Reinhart Ahlrichs
Keyword(s):  
Ab Initio ◽  
Electronic Spectra ◽  
Ab Initio Calculation
Sign in / Sign up

Export Citation Format

Share Document