core orbital
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Relativistic local hybrid functionals and their impact on 1s core orbital energies

2020 ◽  
Vol 152 (21) ◽  
pp. 214103
Author(s):  
Toni M. Maier ◽  
Yasuhiro Ikabata ◽  
Hiromi Nakai
Keyword(s):  
Orbital Energies ◽  
Hybrid Functionals ◽  
Core Orbital

Undistorted X-ray Absorption Spectroscopy Using s-Core-Orbital Emissions

2016 ◽  
Vol 120 (18) ◽  
pp. 2808-2814 ◽  
Author(s):  
Ronny Golnak ◽  
Jie Xiao ◽  
Kaan Atak ◽  
Isaak Unger ◽  
Robert Seidel ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
X Ray ◽  
X Ray Absorption ◽  
Core Orbital

scholarly journals Formation and decay of core-orbital vacancies in the water molecule

2013 ◽  
Vol 558 ◽  
pp. 82-87 ◽  
Author(s):  
M. Mucke ◽  
J.H.D. Eland ◽  
O. Takahashi ◽  
P. Linusson ◽  
D. Lebrun ◽  
...  
Keyword(s):  
Water Molecule ◽  
Core Orbital

Effect of the Cl2p core orbital excitation on the nuclear dynamics of the three dichloroethylene isomers

2011 ◽  
Vol 184 (1-2) ◽  
pp. 24-28 ◽  
Author(s):  
D. Céolin ◽  
O. Travnikova ◽  
Z. Bao ◽  
A. Kivimäki ◽  
S. Carniato ◽  
...  
Keyword(s):  
Nuclear Dynamics ◽  
Orbital Excitation ◽  
Core Orbital

On the effect of core orbital relaxation in first-order relativistic calculations

1988 ◽  
Vol 145 (5) ◽  
pp. 393-398 ◽  
Author(s):  
Margareta R.A. Blomberg ◽  
Ulf Wahlgren
Keyword(s):  
First Order ◽  
Orbital Relaxation ◽  
Core Orbital
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