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

UV spectra of ArH and ArD as emitted by a neutralized ion beam

1994 ◽  
Vol 72 (11-12) ◽  
pp. 1236-1240 ◽  
Author(s):  
Ch. Wunderlich ◽  
B. Witzel ◽  
R. Bruckmeier ◽  
H. Figger
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Short Wavelength ◽  
Ion Beam ◽  
Uv Spectra ◽  
Dipole Transition ◽  
Lifetime Measurements ◽  
Part Formula ◽  
State Potential ◽  
Potential Curves

UV spectra of ArH and ArD can be observed after neutralizing an ionic beam of ArH+ and ArD+, respectively, in Cs vapor. The spectra are continuous and range in wavelength from 200 to 450 nm. Earlier lifetime measurements suggested that at least the E2Π and B2Π states contribute to the UV continua, which is supported by simulating the UV spectra starting from ab initio calculated potential curves and dipole transition moments supplied by Theodorakopoulos and Petsalakis. Using the original potentials, the short-wavelength part [Formula: see text] of the spectra could be fitted well, but for longer wavelengths a discrepancy between theoretical and experimental spectra remained. A change of the dissociative ground-state potential curve improved the fit decisively for both ArH and ArD.

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 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
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