Time-Dependent DFT Studies of Metal Core-Electron Excitations in Mn Complexes

2008 ◽  
Vol 112 (44) ◽  
pp. 11223-11234 ◽  
Author(s):  
Adrian R. Jaszewski ◽  
Rob Stranger ◽  
Ronald J. Pace
Keyword(s):  
Time Dependent ◽  
Dft Studies ◽  
Metal Core ◽  
Core Electron ◽  
Electron Excitations

Experimental and DFT/Time-Dependent DFT Studies on Neutral and One-Electron-Reduced Quinoxaline and Pyrazine Precursors and Their Mononuclear (PdII, PtII) Derivatives

2014 ◽  
Vol 2014 (22) ◽  
pp. 3572-3581 ◽  
Author(s):  
Maria Pia Donzello ◽  
Giorgia De Mori ◽  
Elisa Viola ◽  
David Futur ◽  
Zhen Fu ◽  
...  
Keyword(s):  
Time Dependent ◽  
Dft Studies

Odd–even harmonic generation from oriented CO molecules in linearly polarized laser fields and the influence of the dynamic core-electron polarization

2019 ◽  
Vol 21 (43) ◽  
pp. 24177-24186 ◽  
Author(s):  
Ngoc-Loan Phan ◽  
Cam-Tu Le ◽  
Van-Hung Hoang ◽  
Van-Hoang Le
Keyword(s):  
Harmonic Generation ◽  
Theoretical Study ◽  
Polar Molecule ◽  
Time Dependent ◽  
Laser Fields ◽  
Core Electron ◽  
Electron Polarization ◽  
Linearly Polarized ◽  
Active Electron ◽  
Even Harmonics

We present a detailed theoretical study of the odd–even harmonics generated from the polar molecule CO by the method based on numerically solving the time-dependent Schrödinger equation within the single-active-electron approximation.

Core‐electron excitations and the electronic decay of core‐to‐bound‐state transitions in condensed azabenzenes

1989 ◽  
Vol 91 (1) ◽  
pp. 20-28 ◽  
Author(s):  
R. Dudde ◽  
M. L. M. Rocco ◽  
E. E. Koch ◽  
S. Bernstorff ◽  
W. Eberhardt
Keyword(s):  
Bound State ◽  
State Transitions ◽  
Core Electron ◽  
Electron Excitations
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