Calculating core-level excitations and x-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator

2014 ◽  
Vol 35 (26) ◽  
pp. 1900-1915 ◽  
Author(s):  
Jan Wenzel ◽  
Michael Wormit ◽  
Andreas Dreuw
Keyword(s):  
Absorption Spectra ◽  
Closed Shell ◽  
Core Level ◽  
X Ray ◽  
Polarization Propagator ◽  
Construction Scheme ◽  
X Ray Absorption

K- and L-edge X-ray absorption spectrum calculations of closed-shell carbon, silicon, germanium, and sulfur compounds using damped four-component density functional response theory

2016 ◽  
Vol 18 (19) ◽  
pp. 13591-13603 ◽  
Author(s):  
Thomas Fransson ◽  
Daria Burdakova ◽  
Patrick Norman
Keyword(s):  
Absorption Spectrum ◽  
Functional Response ◽  
Absorption Spectra ◽  
Silicon Germanium ◽  
Density Functional ◽  
Closed Shell ◽  
Sulfur Compounds ◽  
Response Theory ◽  
X Ray ◽  
X Ray Absorption

X-ray absorption spectra of carbon, silicon, germanium, and sulfur compounds have been investigated by means of damped four-component density functional response theory.

Correlation between N 1s core level x-ray photoelectron and x-ray absorption spectra of amorphous carbon nitride films

2000 ◽  
Vol 77 (6) ◽  
pp. 803-805 ◽  
Author(s):  
C. Quirós ◽  
J. Gómez-Garcı́a ◽  
F. J. Palomares ◽  
L. Soriano ◽  
E. Elizalde ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
Amorphous Carbon ◽  
Carbon Nitride ◽  
Core Level ◽  
X Ray ◽  
Amorphous Carbon Nitride ◽  
X Ray Absorption

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Theoretical description of optical and x-ray absorption spectra of MgO including many-body effects

2021 ◽  
Vol 103 (19) ◽  
Author(s):  
Vijaya Begum ◽  
Markus E. Gruner ◽  
Christian Vorwerk ◽  
Claudia Draxl ◽  
Rossitza Pentcheva
Keyword(s):  
Absorption Spectra ◽  
Theoretical Description ◽  
Many Body ◽  
X Ray ◽  
Many Body Effects ◽  
X Ray Absorption

scholarly journals Soft X-ray absorption spectra in the CK region of carbon black and spectral analysis using the discrete variational Xα method

TANSO ◽  
2009 ◽  
Vol 2009 (236) ◽  
pp. 2-8 ◽  
Author(s):  
Yasuji Muramatsu ◽  
Ryusuke Harada ◽  
Muneyuki Motoyama ◽  
Eric M. Gullikson
Keyword(s):  
Spectral Analysis ◽  
Carbon Black ◽  
Absorption Spectra ◽  
X Ray ◽  
X Ray Absorption
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