An accurate analytical formula for the van der Waals potentials of homonuclear rare‐gas dimers with one adjustable parameter

Abstract

In the present article, the Tang-Toennies-Yiu (TTY) potential model is modified by introducing one adjustable parameter. Then, the van der Waals potentials of He 2 , Ne 2 , Ar 2 , Kr 2 , and Xe 2 are calculated by this model with the adjustable parameter being determined by the well determined well depth D e of these systems. Based on the derived potentials, the vibrational energy spacings of these systems are also calculated. It is shown that the present derived potentials and vibrational energy spacings agree well with experiment and other theoretical calculations.Finally, the normalization constant A in the asymptotic wave function of rare-gas atoms is estimated. The present derived normalization constant A is very close to the one by calculating the ratio between the Hartree-Fock function and the asymptotic wave function. The results confirm that absorbing the first-order polarization energy into the exchange energy expression is a well approximation for the present systems. K E Y W O R D Sone adjustable parameter, potential model, rare-gas dimers, surface integral method

Improved multiparameter exponential‐type potential for diatomic molecules

“…Many efforts have been made toward the construction of analytical representations of internuclear interaction energies for diatomic molecules . In 2012, García‐Martínez et al constructed an exactly solvable multiparameter exponential‐type potential (MPETP) based on the canonical transformation method applied to a general second‐order differential equation.…”

Analysis and Modeling of Spectral Line Shapes of Collision-Induced Light Scattering of Gaseous Xenon

“…The experimental and other theoretical results are also listed in the Table 2 for comparison [15][16][17][18][19][20][21][22]. It is gratifying to find that the spacings of these dimers predicted by the MTT and BFW potential models are in excellent agreement with the experimental results if the experimental error bar is taken into consideration.…”

“…The interatomic potentials we provide here are obtained through the analysis of the vibrational energy levels [15][16][17][18][19][20][21][22], pressure second virial coefficients [23][24][25][26][27][28][29][30][31][32][33][34][35] and a set of gaseous transport properties [36][37][38][39][40][41][42][43][44][45][46][47][48][49][50][51][52]. For the analysis of all these experimental data we consider the following potentials…”