X-Ray absorption spectra of microsolvated metal cations

2016 ◽  
Vol 18 (25) ◽  
pp. 16671-16681 ◽  
Author(s):  
T. Miteva ◽  
J. Wenzel ◽  
S. Klaiman ◽  
A. Dreuw ◽  
K. Gokhberg
Keyword(s):  
Absorption Spectra ◽  
Excited States ◽  
Metal Cations ◽  
X Ray ◽  
X Ray Absorption

Core excited states of microsolvated ions undergo substantial delocalisation whose degree strongly depends on the ion's charge.

Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectra

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Manuel Hodecker ◽  
Julia Piazolo ◽  
Dirk R. Rehn ◽  
Andreas Dreuw
Keyword(s):  
Absorption Spectra ◽  
Excited States ◽  
Coupled Cluster ◽  
Cluster Approach ◽  
X Ray ◽  
X Ray Absorption

Higher excited states in x-ray-absorption spectra of adsorbates

1993 ◽  
Vol 47 (4) ◽  
pp. 2308-2319 ◽  
Author(s):  
O. Björneholm ◽  
A. Nilsson ◽  
E. O. F. Zdansky ◽  
A. Sandell ◽  
H. Tillborg ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
Excited States ◽  
X Ray ◽  
X Ray Absorption ◽  
Higher Excited States

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 ◽  
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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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