Published March 2021 | Version v1
Journal article

Relativistic treatment of alkaline earth dimers in the presence of non-central molecular potential in N-dimensions

  • 1. Department of Physics, Erciyes University, Kayseri 38039 (Turkey)
  • 2. Department of Natural and Mathematical Sciences, Tarsus University, Mersin 33400 (Turkey)

Description

Highlights: • Relativistic vibrational transition frequencies provide excellent agreement with RKR and IPA experimental values. • Pekeris approximation for alkaline earth dimers is valid around the equilibrium distance. • Insight into the surface plots of alkaline earth molecules for non-central Morse potential. • The relativistic treatment is more effective in low vibrational states. Within the framework of relativistic theory, N-dimensional non-central Morse potential as anharmonic model is considered thoroughly to describe the internuclear motion of alkaline earth dimers in the different electronic states. We illustrate the surface plots of alkaline earth dimers to examine the effect of angular potential, due to existence of molecular systems in which spherical symmetry disappears. Also, the contribution of angle dependent interaction to the relativistic energy spectra has been investigated in N-dimensions. We determine the relativistic vibrational transition frequencies in the lower vibrational states for the X1Σg+ ground state of 24Mg2,40Ca2,24Mg40Ca and A1Σu+ excited state of 88Sr2 alkaline earth diatomic molecules. The theoretical results have been compared with Rydberg-Klein-Rees (RKR) and the inverted perturbation approach (IPA) experimental data. We also discussed the validity of Pekeris approximation around the equilibrium distance as well as the repulsive and attractive regions for alkaline earth dimers.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.chemphys.2020.111078

Additional details

Identifiers

DOI
10.1016/j.chemphys.2020.111078;
PII
S0301010420312039;

Publishing Information

Journal Title
Chemical Physics
Journal Volume
543
Journal Page Range
vp.
ISSN
0301-0104
CODEN
CMPHC2

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
54084413
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
DIMERS; ENERGY SPECTRA; GROUND STATES; MOLECULES; MORSE POTENTIAL; PERTURBATION THEORY; RELATIVISTIC RANGE; SPHERICAL CONFIGURATION; SURFACES; SYMMETRY; VIBRATIONAL STATES
Descriptors DEC
CONFIGURATION; ENERGY LEVELS; ENERGY RANGE; EXCITED STATES; POTENTIALS; SPECTRA

Optional Information

Copyright
Copyright (c) 2020 Elsevier B.V. All rights reserved.