A theoretical study of the rovibrational levels of the bosonic van der Waals neon trimer

Abstract

The eigenenergies and root mean square radii of the rovibrational levels (J = 0-3) of the weakly bound bosonic van der Waals neon trimer were calculated using a full angular momentum three-dimensional finite element method. The differing results of three previous studies for zero angular momentum are discussed, explained, and compared with the results presented here.

A theoretical study of Ne3 using hyperspherical coordinates and a slow variable discretization approach

“…The present results are compared with those based on the FEM (Ref. 18). convergence becomes slower with increasing vibrational excitation n. In the slowest case, the (J , n) = (4 + , 20) energy level is shown to be accurate only to three significant digits even with ν max = 100.…”

“…18. We do not include nonadditive three-body interactions since they are not available to our knowledge.…”

“…There have been extensive theoretical studies of the bound state energy levels and structures of weakly bound bosonic van der Waals trimers for J = 0 in the literature during the past two decades. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17] Rovibrational calculations have been carried out only recently for Ne 3 by Salci et al, 18 and for Ar 3 by Márquez-Mijares et al 19 and Karlický et al, 20 while He 3 has been found to support no J > 0 bound state. 21 In the present work, we study theoretically the bosonic rare gas van der Waals trimer Ne 3 .…”

A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations

“…The results are compared with values reported in previous calculations on the system and employed in analytical expressions for the rovibrational spectrum of a rigid asymmetric rotor. 7 A similar analysis has been recently performed for the Ne trimer, 38 where the Ne 3 system was treated as an oblate symmetric top. The spectrum obtained from the rotational constants for each vibrational state and the one predicted by the general DGF approach, where the rotational Hamiltonian matrix contains possible interactions between different vibrational states, are compared.…”

“…As in previous investigations on molecular trimers such as, for example, Ar 3 , 25,62 Ne 2 H − , 63 or Ne 3 , 38 we have obtained values for A, B, and C associated with each vibrational state k. The average values have been calculated by means of the pseudoweights method described in previous occassions. 15,19,20 The most recently reported values of rotational constants are those given by Karlický et al, obtained from a fit to the expression for the exact bound state energies ͓see Eq.…”