Accurate ab initio determination of the adiabatic potential energy function and the Born–Oppenheimer breakdown corrections for the electronic ground state of LiH isotopologues

2011 ◽  
Vol 134 (9) ◽  
pp. 094306 ◽  
Author(s):  
Filip Holka ◽  
Péter G. Szalay ◽  
Julien Fremont ◽  
Michael Rey ◽  
Kirk A. Peterson ◽  
...  
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Ground State ◽  
Energy Function ◽  
Potential Energy Function ◽  
Electronic Ground State ◽  
Adiabatic Potential ◽  
Electronic Ground

A refined potential energy function for the electronic ground state of H2Se

2004 ◽  
Vol 227 (1) ◽  
pp. 1-12 ◽  
Author(s):  
O.N. Ulenikov ◽  
E.S. Bekhtereva ◽  
N.A. Sanzharov ◽  
Per Jensen
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Energy Function ◽  
Potential Energy Function ◽  
Electronic Ground State ◽  
Electronic Ground

Potential Energy Function and Vibrational States of the Electronic Ground State of N4+

1999 ◽  
Vol 103 (12) ◽  
pp. 1846-1852 ◽  
Author(s):  
Celine Léonard ◽  
Pavel Rosmus ◽  
Stuart Carter ◽  
Nicholas C. Handy
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Energy Function ◽  
Potential Energy Function ◽  
Electronic Ground State ◽  
Vibrational States ◽  
Electronic Ground

scholarly journals Radiative cooling of H3O+ and its deuterated isotopologues

2016 ◽  
Vol 18 (37) ◽  
pp. 26268-26274 ◽  
Author(s):  
Vladlen V. Melnikov ◽  
Sergei N. Yurchenko ◽  
Jonathan Tennyson ◽  
Per Jensen
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Ab Initio ◽  
Ground State ◽  
Theoretical Study ◽  
Electronic Ground State ◽  
Radiative Cooling ◽  
Radiative Lifetimes ◽  
Hydronium Ion ◽  
Electronic Ground

In conjunction with ab initio potential energy and dipole moment surfaces for the electronic ground state, we have made a theoretical study of the radiative lifetimes for the hydronium ion H3O+ and its deuterated isotopologues.

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