Nonadiabatic Dynamics within Time-Dependent Density Functional Tight Binding Method†

2009 ◽  
Vol 113 (45) ◽  
pp. 12700-12705 ◽  
Author(s):  
Roland Mitrić ◽  
Ute Werner ◽  
Matthias Wohlgemuth ◽  
Gotthard Seifert ◽  
Vlasta Bonačić-Koutecký
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Time Dependent ◽  
Nonadiabatic Dynamics ◽  
Tight Binding Method ◽  
Dependent Density

Spin‐flip approach within time‐dependent density functional tight‐binding method: Theory and applications

2020 ◽  
Vol 41 (16) ◽  
pp. 1538-1548
Author(s):  
Mayu Inamori ◽  
Takeshi Yoshikawa ◽  
Yasuhiro Ikabata ◽  
Yoshifumi Nishimura ◽  
Hiromi Nakai
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Time Dependent ◽  
Spin Flip ◽  
Tight Binding Method ◽  
Dependent Density

Analytical excited state forces for the time-dependent density-functional tight-binding method

2007 ◽  
Vol 28 (16) ◽  
pp. 2589-2601 ◽  
Author(s):  
D. Heringer ◽  
T. A. Niehaus ◽  
M. Wanko ◽  
TH. Frauenheim
Keyword(s):  
Excited State ◽  
Density Functional ◽  
Tight Binding ◽  
Time Dependent ◽  
Tight Binding Method ◽  
Dependent Density
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