Investigation of the valence ionization spectrum of chromium carbonyl using an ab initio quantum dynamical approach

2020 ◽  
Vol 152 (6) ◽  
pp. 064109 ◽  
Author(s):  
Behnam Nikoobakht
Keyword(s):  
Ab Initio ◽  
Quantum Dynamical ◽  
Dynamical Approach ◽  
Chromium Carbonyl ◽  
Ionization Spectrum

Ab initio calculations of the ionization spectrum of SO 2

2008 ◽  
Vol 17 (11) ◽  
pp. 4163-4169 ◽  
Author(s):  
Zhang Yong-Feng ◽  
Wang Mei-Shan ◽  
Yang Chuan-Lu ◽  
Ma Mei-Zhong ◽  
Pang Wei-Xiu ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Ionization Spectrum

Electronic Circular Dichroism in Exciton-Coupled Dimers: Vibronic Spectra from a General All-Coordinates Quantum-Dynamical Approach

2013 ◽  
Vol 117 (16) ◽  
pp. 3355-3368 ◽  
Author(s):  
Daniele Padula ◽  
David Picconi ◽  
Alessandro Lami ◽  
Gennaro Pescitelli ◽  
Fabrizio Santoro
Keyword(s):  
Circular Dichroism ◽  
Electronic Circular Dichroism ◽  
Quantum Dynamical ◽  
Dynamical Approach ◽  
Vibronic Spectra ◽  
Circular Dichroïsm
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