Momentum space calculations of the binding energies of argon dimer

Abstract

The binding energies of argon dimer are calculated by solving the homogeneous Lippmann-Schwinger integral equation in momentum space. Our numerical analysis using two models of argon-argon interaction developed by Patkowski et al. not only confirms the eight argon dimer vibrational levels of the ground state of argon dimer (ie, for j = 0) predicted by other groups but also provides a very precise means for determining the binding energy of the ninth state which its value is a matter of discussion. Our calculations have been also extended to states with higher rotational quantum number j and we have calculated the energy of all 174 bound states for both potential models. Our numerical results for vibrational levels of the ground state of argon dimer are in excellent agreement with other theoretical calculations and available experimental data.

Low temperature scattering with the R-matrix method: argon-argon scattering

“…When performing the inner region calculations with Duo in this work, the number of bound states was found to be in agreement with literature values [47,51] for all five PECs studied (see Table I).…”

Rotational spectroscopy of the argon dimer by time-resolved Coulomb explosion imaging of rotational wave packets

“…Quite recently, bound states of Ar 2 were calculated on reported potentials by solving the Lippmann-Swinger integral equation in momentum space. 26 The predicted energy levels based on the potential by Patkowski et al 18 are fit with the B 0 and D 0 constants, as listed in Table 1, in astonishing agreement with the present results. This manifests the status of state-of-the-art theoretical studies on interatomic interactions and relevant rovibrational energy-level calculations.…”

“…The theoretical values are within the range of 0.0570-0.0578 cm À1 , and those on the ab initio potentials from highly correlated levels with substantially large basis sets are converged to B0.05760 cm À1 . 16,18,26 Its difference from the VUV-LIF results 25 is 1.6 Â 10 À4 cm À1 , substantially exceeding the experimental uncertainty of 0.6 Â 10 À4 cm À1 . Boyes reanalysed the VUV-LIF data by including low-J transitions, which had been discounted in the original analysis, as well as by taking the higher centrifugal distortion term into account.…”

“…In the theoretical studies, the B 0 constant has been calculated by computing eigen-energies for several values of rotational angular momentum J on a semiempirical or ab initio pair potential. 9,[13][14][15][16][17][18]26 also collects some of theoretically predicted values of B 0 , accompanied with the experimental results. The theoretical values are within the range of 0.0570-0.0578 cm À1 , and those on the ab initio potentials from highly correlated levels with substantially large basis sets are converged to B0.05760 cm À1 .…”

Thermodynamic evaluation of Coshine Yukawa potential (CYP) for some diatomic molecule systems

“…Since the birth of quantum mechanics, non-relativistic solution of SE has drawn much attention especially in studying exact solvable physical problems in different branches of physics, of which, the applications of quantum mechanics are not limited to but incorporate molecular physics, information theory, nuclear and particle physics [5][6][7][8]. In particular, this solution approach has been adopted in many studies to report the mass spectra, thermodynamic functions, transition properties and decay rates, as well as binding energies of physical systems of interest [9][10][11][12][13][14][15]. However, solving this equation can be very arduous, and the obtainment of exact analytical solutions occurs only in few cases [16] since the solution of wave equations with some potentials are exactly solvable for𝑙 = 0, while other potentials are unsolvable and nontrivial for any arbitrary 𝑙 ≠ 0 angular momentum quantumnumber.…”