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

100%
Stegeby H., Piszczatowski K., Karlsson H., Lindh R., Froelich P.
Open Physics
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2012
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vol. 10
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issue 5
1038-1053
EN
The 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.
2
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Theoretical study of highly-excited states of KRb molecule

88%
Łobacz P., Jasik P., Sienkiewicz J.
Open Physics
|
2013
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vol. 11
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issue 9
1107-1114
EN
Semi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a 0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis set functions. The spectroscopic constants of the calculated electronic states agree well with experimental data, including the recent ones from Lee et al., and with available theoretical results.
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