scholarly journals Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal–organic clusters

2021 ◽  
Vol 154 (11) ◽  
pp. 114102
Author(s):  
Esko Makkonen ◽  
Tuomas P. Rossi ◽  
Ask Hjorth Larsen ◽  
Olga Lopez-Acevedo ◽  
Patrick Rinke ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Circular Dichroism ◽  
Real Time ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Electronic Circular Dichroism ◽  
Metal Organic ◽  
Circular Dichroïsm ◽  
Dependent Density

Circular Dichroism of Helicenes Investigated by Time-Dependent Density Functional Theory

2000 ◽  
Vol 122 (8) ◽  
pp. 1717-1724 ◽  
Author(s):  
Filipp Furche ◽  
Reinhart Ahlrichs ◽  
Claudia Wachsmann ◽  
Edwin Weber ◽  
Adam Sobanski ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Circular Dichroism ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Circular Dichroïsm ◽  
Dependent Density
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