Accurate variational calculations and analysis of the HOCl vibrational energy spectrum

1998 ◽  
Vol 109 (23) ◽  
pp. 10273-10283 ◽  
Author(s):  
Sergei Skokov ◽  
Jianxin Qi ◽  
Joel M. Bowman ◽  
Chao-Yie Yang ◽  
Stephen K. Gray ◽  
...  
Keyword(s):  
Energy Spectrum ◽  
Vibrational Energy ◽  
Variational Calculations

scholarly journals Variational calculations for the hydrogen-antihydrogen system with a mass-scaled Born-Oppenheimer potential

Open Physics ◽  
2012 ◽  
Vol 10 (5) ◽  
Author(s):  
Henrik Stegeby ◽  
Konrad Piszczatowski ◽  
Hans Karlsson ◽  
Roland Lindh ◽  
Piotr Froelich
Keyword(s):  
Bound States ◽  
Vibrational Energy ◽  
Scattering Length ◽  
Energy Levels ◽  
Nuclear Interaction ◽  
S Wave ◽  
Proton Antiproton ◽  
Mass Scaling ◽  
Variational Calculations ◽  
Vibrational Energy Levels

AbstractThe problem of proton-antiproton motion in the H-$\bar H$ system is investigated by means of the variational method. We introduce a modified nuclear interaction through mass-scaling of the Born-Oppenheimer potential. This improved treatment of the interaction includes the nondivergent part of the otherwise divergent adiabatic correction and shows the correct threshold behaviour. Using this potential we calculate the vibrational energy levels with angular momentum 0 and 1 and the corresponding nuclear wave functions, as well as the S-wave scattering length. We obtain a full set of all bound states together with a large number of discretized continuum states that might be utilized in variational four-body calculations. The results of our calculations gives an indication of resonance states in the hydrogen-antihydrogen system.

Variational calculations of rotational–vibrational energy levels of water

1985 ◽  
Vol 83 (4) ◽  
pp. 1795-1807 ◽  
Author(s):  
Cheng‐Lung Chen ◽  
Bärbel Maessen ◽  
Max Wolfsberg
Keyword(s):  
Vibrational Energy ◽  
Energy Levels ◽  
Variational Calculations ◽  
Vibrational Energy Levels

Vibrational energies of H3+ and Li3+ based on the diatomics-in-molecules potentials

1986 ◽  
Vol 51 (10) ◽  
pp. 2057-2062 ◽  
Author(s):  
Jan Vojtík ◽  
Vladimír Špirko ◽  
Per Jensen
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Vibrational Motion ◽  
Variational Calculations ◽  
Vibrational Energies ◽  
Vibrational Energy Levels ◽  
Energy Surfaces

The present publication reports variational calculations of the vibrational energy levels for H3+, D3+, 6Li3+, and 7Li3+, starting from potential energy surfaces generated by the DIM scheme. The vibrational energies obtained agree semiquantitatively with those based on the best ab initio potentials available. The results seem to indicate that an analogous approach might be useful in describing the vibrational motion of heavier alkali cluster cations A3+.

The vibrational energy spectrum of the 21Σg+ state of Li2

1984 ◽  
Vol 111 (4-5) ◽  
pp. 413-415 ◽  
Author(s):  
Daniel D. Konowalow ◽  
Lyn B. Ratcliff
Keyword(s):  
Energy Spectrum ◽  
Vibrational Energy
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