Ab initio modeling of excited state absorption of polyenes

2001 ◽  
Vol 3 (13) ◽  
pp. 2567-2575 ◽  
Author(s):  
Peter Cronstrand ◽  
Ove Christiansen ◽  
Patrick Norman ◽  
Hans Ågren
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Excited State Absorption ◽  
Ab Initio Modeling

Ab-initio calculation of excited state absorption of Cr4+ in Y3Al5O12

1999 ◽  
Vol 74 (25) ◽  
pp. 3755-3757 ◽  
Author(s):  
W. Y. Ching ◽  
Yong-Nian Xu ◽  
B. K. Brickeen
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Excited State Absorption

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.

scholarly journals Realizing Near‐Infrared Laser Dyes through a Shift in Excited‐State Absorption

2021 ◽  
pp. 2001947
Author(s):  
Reiko Aoki ◽  
Ryutaro Komatsu ◽  
Kenichi Goushi ◽  
Masashi Mamada ◽  
Soo Young Ko ◽  
...  
Keyword(s):  
Excited State ◽  
Near Infrared ◽  
Excited State Absorption ◽  
Infrared Laser ◽  
Laser Dyes

Theoretical insights on the excited-state-deactivation mechanisms of protonated thymine and cytosine

2021 ◽  
Vol 23 (14) ◽  
pp. 8916-8925
Author(s):  
Leila Shahrokh ◽  
Reza Omidyan ◽  
Gholamhassan Azimi
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Simulation Methods ◽  
Protonated Cytosine ◽  
Protonated Thymine ◽  
Ring Deformation ◽  
Deactivation Mechanism

Excited-state deactivation mechanism of protonated cytosine and thymine is investigated based on ab initio and NAMD simulation methods. The ring deformation from C6 region is suggested to play the most prominent role in deactivation mechanism.

Excited state absorption and stimulated emission of Nd 3+ in crystals III: LaSc 3 (BO 3 ) 4 , CaWO 4 , and YLiF 4

1999 ◽  
Vol 68 (1) ◽  
pp. 67-72 ◽  
Author(s):  
L. Fornasiero ◽  
T. Kellner ◽  
S. Kück ◽  
J.P. Meyn ◽  
P.E.-A. Möbert ◽  
...  
Keyword(s):  
Excited State ◽  
Excited State Absorption ◽  
Stimulated Emission
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