Three-body molecular states of the LiH2+ system in the Born-Oppenheimer approximation

2018 ◽  
Vol 118 (15) ◽  
pp. e25611 ◽  
Author(s):  
Juan M. Randazzo ◽  
Antonio Aguilar-Navarro
2001 ◽  
Vol 79 (9) ◽  
pp. 1149-1158
Author(s):  
A K Bhatia ◽  
R J Drachman

Wave functions of the Hylleraas type were used earlier to calculate energy levels of muonic systems. Recently, we found in the case of the molecular ions H2+, D2+, and HD+ that it was necessary to include high powers of the internuclear distance in the Hylleraas functions to localize the nuclear motion when treating the ions as three-body systems without invoking the Born–Oppenheimer approximation. We tried the same approach in a muonic system, tdµ– (triton, deuteron, and muon). Improved convergence was obtained for J = 0 and 1 states for shorter expansions when we used this type of generalized Hylleraas function, but as the expansion length increased the high powers were no longer useful. We obtained good energy values for the two lowest J = 0 and 1 states and compared them with the best earlier calculations. Expectation values were obtained for various operators, the Fermi contact parameters, and the permanent quadrupole moment. The cusp conditions were also calculated. The polarizability of the ground state was then calculated using second-order perturbation theory with intermediate J = 1 pseudostates. (It should be possible to measure the polarizability by observing Rydberg states of atoms with tdµ– acting as the nucleus.) In addition, the initial sticking probability (an essential quantity in the analysis of muon catalyzed fusion) was calculated and compared with earlier results. PACS Nos.: 30.00, 36.10-k, 02.70-c


2019 ◽  
Vol 202 ◽  
pp. 06007
Author(s):  
Li Ma

Through the Born-Oppenheimer Approximation, we have performed a comprehensive investigation of the DD∗K, D$ \overline D $*K, BB∗$ \overline K $ and B$ \overline B $*$ \overline K $ molecular states. In the framework of One-Pion Exchange model as well as the treatments of the coupled-channel effects and S-D wave mixing, we find a loosely bound tri-meson molecular state these systems with the isospin configuration |0,$ {1 \over 2} $, ±$ {1 \over 2} $> and quantum number I(JP) = 1/2(1−), where the, $ {1 \over 2} $ is the total isospin of the three-body system, the 0 is the isospin of the D∗K, $ \overline D $*K, B∗$ \overline K $ and $ \overline B $∗$ \overline K $. With the estimated error, the mass of the DD∗K or D$ \overline D $∗K molecule is $ 4317.92_{ - 4.32}^{ + 3.66} $ MeV or $ 4317.92_{ - 6.55}^{ + 6.13} $MeV. We also extend our calculations to the bottom sector and find tri-meson bound states for the BB∗$ \overline K $ and B$ \overline B $*$ \overline K $ with the mass $ 11013.65_{ - 8.84}^{ + 8.49} $ MeV and $ 11013.65_{ - 9.02}^{ + 8.68} $MeV respectively.


Author(s):  
Niels Engholm Henriksen ◽  
Flemming Yssing Hansen

This chapter discusses the dynamics of bimolecular collisions within the framework of (quasi-)classical mechanics as well as quantum mechanics. The relation between the cross-section and the reaction probability, which can be calculated theoretically from a (quasi-)classical or quantum mechanical description of the collision, is described in terms of classical trajectories and wave packets, respectively. As an introduction to reactive scattering, classical two-body scattering is described and used to formulate simple models for chemical reactions, based on reasonable assumptions for the reaction probability. Three-body (and many-body) quasi-classical scattering is formulated and the numerical evaluation of the reaction probability is described. The relation between scattering angles and differential cross-sections in various frames is emphasized. The chapter concludes with a brief description of non-adiabatic dynamics, that is, situations beyond the Born–Oppenheimer approximation where more than one electronic state is in play. A discussion of the so-called Landau–Zener model is included.


1979 ◽  
Vol 40 (C7) ◽  
pp. C7-103-C7-104
Author(s):  
A. N. Vasilieva ◽  
I. A. Grishina ◽  
V. I. Ktitorov ◽  
A. S. Kovalev ◽  
A. T. Rakhimov

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