Semiconductor Physics, Quantum Electronics & Optoelectronics, 28 (2), P. 221–231 (2025).
DOI: https://doi.org/10.15407/spqeo28.02.221
Calculation of atomic structure of neutral vanadium
S.V. Gedeon*, V.Yu. Lazur, A.A. Kochemba
Uzhhorod National University, Department of Theoretical Physics, 53 Voloshina Street, 88000 Uzhhorod, Ukraine
*Corresponding author e-mail: sergej.gedeon@uzhnu.edu.ua
Abstract. Multi-configuration Hartree–Fock method combined with configuration interaction approach with non-orthogonal orbitals and B-splines as basis functions are employed to study the atomic structure of neutral vanadium. The energy levels of the ground and 44 lower excited states are calculated both within the non-relativistic LS approximation and with relativistic corrections within the Breit–Pauli approach. The calculation results have a satisfactory agreement with the available experimental data. The obtained sets of wave functions can be used in the subsequent study of photoionization and electron scattering on vanadium atoms.
Keywords: vanadium atom, atomic structure, electronic correlation, configuration interaction, non-orthogonal orbitals.
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