scholarly journals Predissociation resonances and accurate ab initio calculations of dication HF2+

RSC Advances ◽  
2021 ◽  
Vol 11 (16) ◽  
pp. 9600-9607
Author(s):  
Dong Liu ◽  
Rui Li ◽  
Juan Ren ◽  
Yongjun Cheng ◽  
Bing Yan ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Bound States ◽  
Electronic States ◽  
Adiabatic Potential ◽  
Potential Curves

Highly accurate adiabatic potential curves of the 36 electronic states of the HF2+ dication by MRCI calculations. Panels (a), (b) and (c) correspond to the 16 singlet, 15 triplet and 4 quintet states, respectively. The nine bound states are highlighted and given in panel (d).

Ab initio calculations on the electronic states of GaAr and GaAr+

1997 ◽  
Vol 107 (7) ◽  
pp. 2481-2487 ◽  
Author(s):  
Su Jin Park ◽  
Myeong Cheol Kim ◽  
Yoon Sup Lee ◽  
Gwang-Hi Jeung
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic States

Ab initio calculations on low-lying electronic states of SnCl2−and Franck–Condon simulation of its photodetachment spectrum

2008 ◽  
Vol 10 (6) ◽  
pp. 834-843 ◽  
Author(s):  
Edmond P. F. Lee ◽  
John M. Dyke ◽  
Daniel K. W. Mok ◽  
Wan-ki Chow ◽  
Foo-tim Chau
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic States ◽  
Franck Condon ◽  
Photodetachment Spectrum
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