Title: Excited states of S⁺¹⁴ ion (1S nS) in singlet and triplet states (¹S, ³S) by Hartree-Fock method

Authors: Rukia Jabar Dosh; Ali Abid Abojassim; Ban Hussein Alruwaishidi

Addresses: Department of Physics, Faculty of Science, University of Kufa, Kufa, Iraq ' Department of Physics, Faculty of Science, University of Kufa, Kufa, Iraq ' Department of Physics, Faculty of Science, University of Kufa, Kufa, Iraq

Abstract: The excited states of S⁺¹⁴ ion in (1SnS) states of n (2, 3, 4 and 5) are studied in singlet and triplet states (¹S, ³S). This study focuses on studying expectation values of energies (potential (V), kinetic (T), attraction (V_en), repulsion (V_ee) and total energy (E)) for S⁺¹⁴ ion in the states (1s 2s, 1s 3s, 1s 4s, 1s 5s). The study also examines some radial atomic properties as expectation values for one electron r^m₁, inter particle expectation value r^m₁₂ and analyses one-particle radial density functions D(r₁) using Hartree-Fock wave function for these systems. This system consists of two electrons, one electron is in (1S) state (K-shell) and the second electron is in shells (L, M, N, O) (nS) states. In this paper the atomic units are used and all the atomic properties are normalised to unity. All the results were calculated by the software (MATHCAD 2001i).

Keywords: Hartree-Fock; orbitals; excited states; slater determinant.

DOI: 10.1504/IJNEST.2021.120148

International Journal of Nuclear Energy Science and Technology, 2021 Vol.15 No.1, pp.92 - 101

Received: 21 Aug 2021
Accepted: 23 Oct 2021
Published online: 07 Jan 2022 *