SCF-CI studies on the electronic ground state of water: Potential energy hypersurface and spectroscopic constants

1978 ◽  
Vol 47 (3) ◽  
pp. 233-248 ◽  
Author(s):  
Paul Hennig ◽  
Wolfgang P. Kraemer ◽  
Geerd H. F. Diercksen ◽  
Gernot Strey
Keyword(s):  
Potential Energy ◽  
Water Potential ◽  
Ground State ◽  
Electronic Ground State ◽  
Spectroscopic Constants ◽  
State Of Water ◽  
Energy Hypersurface ◽  
Electronic Ground ◽  
Potential Energy Hypersurface

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.

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
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