Accurate Potential Energy Curve for B2. Ab Initio Elucidation of the Experimentally Elusive Ground State Rotation-Vibration Spectrum

2012 ◽  
Vol 116 (7) ◽  
pp. 1717-1729 ◽  
Author(s):  
Laimutis Bytautas ◽  
Nikita Matsunaga ◽  
Gustavo E. Scuseria ◽  
Klaus Ruedenberg
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Ground State ◽  
Potential Energy Curve ◽  
Vibration Spectrum ◽  
Energy Curve

Ab initio determination of the ground-state potential energy curve for Ar2

1982 ◽  
Vol 85 (4) ◽  
pp. 423-427 ◽  
Author(s):  
M. Krauss ◽  
W.J. Stevens
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Ground State ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
State Potential

scholarly journals Ab initio Potential Energy Curve for the Ground State of Beryllium Dimer

2019 ◽  
Vol 15 (4) ◽  
pp. 2470-2480 ◽  
Author(s):  
Michał Lesiuk ◽  
Michał Przybytek ◽  
Justyna G. Balcerzak ◽  
Monika Musiał ◽  
Robert Moszynski
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Ground State ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Beryllium Dimer

Potential energy curve of the ground state of the titanium dimer

1999 ◽  
Vol 461-462 ◽  
pp. 351-357 ◽  
Author(s):  
Yoshi-ichi Suzuki ◽  
Takeshi Noro ◽  
Fukashi Sasaki ◽  
Hiroshi Tatewaki
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Curve ◽  
Energy Curve

scholarly journals The λ 4502 Band of NH

1935 ◽  
Vol 151 (874) ◽  
pp. 602-609 ◽  
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Current Discharge

From a consideration of the possible electron configurations in the NH molecule Mulliken predicted a stable 1 Ʃ + state lying about 1·9 volts above the ground state 3 Ʃ - . It is therefore to be anticipated that tran­sitions to this level from the known 1 II level will be observed simultaneously with the known 1 II → 1 ∆ transition. Mulliken estimated the shape of the potential energy curve for the 1 Ʃ + state; this corresponds to the existence of a 1 II → 1 Ʃ + band degraded to the red and lying in the neighbourhood of λ 4100. The plates from which the 1 II → 1 ∆ band was analysed were therefore examined for evidence of the 1 II → 1 Ʃ + band. After eliminating the numerous lines of the intense secondary spectrum of hydrogen which occurs in this region there remained only five unidentified lines. These are now seen to be the most intense lines of the Q branch of the λ 4502 band. The plates record the spectrum of a heavy current discharge in hydrogen containing a trace of nitrogen.

Positron and positronium chemistry by quantum Monte Carlo. V. The ground state potential energy curve of e+LiH

2000 ◽  
Vol 113 (15) ◽  
pp. 6154-6159 ◽  
Author(s):  
Massimo Mella ◽  
Gabriele Morosi ◽  
Dario Bressanini ◽  
Stefano Elli
Keyword(s):  
Monte Carlo ◽  
Potential Energy ◽  
Ground State ◽  
Quantum Monte Carlo ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Positronium Chemistry ◽  
State Potential

Correlation energy and dispersion interaction in the ab initio potential energy curve of the neon dimer

2008 ◽  
Vol 128 (21) ◽  
pp. 214308 ◽  
Author(s):  
Laimutis Bytautas ◽  
Klaus Ruedenberg
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Curve ◽  
Correlation Energy ◽  
Dispersion Interaction ◽  
Energy Curve
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