Ab initio relativistic all-electron calculation of the Ar–I2 ground state potential

1998 ◽  
Vol 109 (2) ◽  
pp. 359-366 ◽  
Author(s):  
Christian F. Kunz ◽  
Irene Burghardt ◽  
Bernd A. Heß
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
State Potential

scholarly journals The RbSr2Σ+ground state investigatedviaspectroscopy of hot and ultracold molecules

2018 ◽  
Vol 20 (41) ◽  
pp. 26221-26240 ◽  
Author(s):  
Alessio Ciamei ◽  
Jacek Szczepkowski ◽  
Alex Bayerle ◽  
Vincent Barbé ◽  
Lukas Reichsöllner ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Molecular Spectroscopy ◽  
Comprehensive Description ◽  
Ultracold Molecules ◽  
State Potential

A synthesis of information fromab initiocalculations and molecular spectroscopy allows a comprehensive description of the RbSr2Σ+ground-state potential.

Global analytical ab initio ground-state potential energy surface for the C(1D)+H2 reactive system

2014 ◽  
Vol 140 (23) ◽  
pp. 234301 ◽  
Author(s):  
Chunfang Zhang ◽  
Mingkai Fu ◽  
Zhitao Shen ◽  
Haitao Ma ◽  
Wensheng Bian
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Ground State ◽  
Energy Surface ◽  
Reactive System ◽  
State Potential

Ab initio X10+ground state potential curves of Pb⋯RG dimers (RG = He, Ne, Ar) including spin–orbit effects. Simulation of diffusion coefficients

2014 ◽  
Vol 16 (34) ◽  
pp. 18519 ◽  
Author(s):  
Vladimir Sladek ◽  
Lukáš Bučinský ◽  
Ján Matuška ◽  
Michal Ilčin ◽  
Vladimír Lukeš ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Diffusion Coefficients ◽  
Spin Orbit ◽  
State Potential ◽  
Potential Curves
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