Ultrafast nonradiative transition pathways in photo-excited pyrazine: Ab initio analysis of time-resolved vacuum ultraviolet photoelectron spectrum

2018 ◽  
Vol 515 ◽  
pp. 704-709 ◽  
Author(s):  
Benoît Mignolet ◽  
Manabu Kanno ◽  
Noriyuki Shimakura ◽  
Shiro Koseki ◽  
Françoise Remacle ◽  
...  
Keyword(s):  
Ab Initio ◽  
Photoelectron Spectrum ◽  
Vacuum Ultraviolet ◽  
Nonradiative Transition ◽  
Time Resolved ◽  
Transition Pathways

Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine

2015 ◽  
pp. 176-179
Author(s):  
Manabu Kanno ◽  
Yuta Ito ◽  
Noriyuki Shimakura ◽  
Shiro Koseki ◽  
Hirohiko Kono ◽  
...  
Keyword(s):  
Ab Initio ◽  
Nonradiative Transition ◽  
Dynamical Study ◽  
Quantum Dynamical ◽  
Transition Pathways

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.

Extensions to the spectrum of doubly excited Mg I in the vacuum ultraviolet

1978 ◽  
Vol 364 (1718) ◽  
pp. 353-366 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Ab Initio ◽  
Electron Impact ◽  
Vacuum Ultraviolet ◽  
Background Radiation ◽  
Valence Shell ◽  
Electron Synchrotron ◽  
Doubly Excited ◽  
High Series ◽  
The Continuum

The absorption spectrum of Mg I vapour between 2000 and 700 ņ has been reinvestigated, using the continuum emitted by the Bonn 500 MeV electron synchrotron as the source of background radiation. Extensions to the double excitation spectrum of the valence shell have resulted and are compared with recent data obtained by electron impact spectroscopy. Ab initio calculations of the doubly excited configurations have been extended to high series members, and the transition from LS to jj coupling is shown to be responsible for the appearance of a 1 S 0 - 3 P 1 series not previously detected by photoabsorption.

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