scholarly journals An ab initio multiconfigurational description of core hole and shake up excited states in small molecules

2015 ◽  
Vol 635 (11) ◽  
pp. 112111
Author(s):  
Inés Corral ◽  
Jesús González-Vázquez ◽  
Fernando Martín
Keyword(s):  
Ab Initio ◽  
Small Molecules ◽  
Excited States ◽  
Core Hole

scholarly journals The O K−2V spectrum of CO: the influence of the second core-hole

2021 ◽  
Author(s):  
D. Koulentianos ◽  
S. Carniato ◽  
R. Püttner ◽  
J. B. Martins ◽  
O. Travnikova ◽  
...  
Keyword(s):  
Excited States ◽  
Photoelectron Spectrum ◽  
Spectral Features ◽  
Core Hole

A K−2V photoelectron spectrum of the CO molecule, showing several core-ionized core-excited states, has been recorded and the different spectral features have been interpreted in terms of their direct or conjugate nature.

Ab initio calculations on the ground and excited states of InI

2003 ◽  
Vol 101 (19) ◽  
pp. 2963-2968 ◽  
Author(s):  
WENLI ZOU ◽  
MEIRONG LIN ◽  
XINZHENG YANG ◽  
BAOZHENG ZHANG
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States

An ab initio study of the ground and low-lying excited states of KBe with the effect of inner-shell electrons

2013 ◽  
Vol 139 (7) ◽  
pp. 074305 ◽  
Author(s):  
Ke-La Xiao ◽  
Chuan-Lu Yang ◽  
Mei-Shan Wang ◽  
Xiao-Guang Ma ◽  
Wen-Wang Liu
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Study

Ab initio calculation of the ground and first excited states of the lithium dimer

2021 ◽  
Author(s):  
Jianjun Qi ◽  
Yuyao Bai ◽  
Qianqian Guo ◽  
Yong-Chang Han ◽  
Shundalau Maksim
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Calculation ◽  
Lithium Dimer

An ab initio study of the excited states of the vinoxy radical

2006 ◽  
Vol 425 (4-6) ◽  
pp. 225-228 ◽  
Author(s):  
Katarzyna Piechowska-Strumik ◽  
Marie-Christine Bacchus-Montabonel ◽  
Yvette Suzanne Tergiman ◽  
Jozef E. Sienkiewicz
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Study
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