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

被引:0
作者
Dosh R.J. [1 ]
Abojassim A.A. [1 ]
Alruwaishidi B.H. [1 ]
机构
[1] Department of Physics, Faculty of Science, University of Kufa, Kufa
关键词
Excited states; Hartree-Fock; Orbitals; Slater determinant;
D O I
10.1504/IJNEST.2021.120148
中图分类号
学科分类号
摘要
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 (Ven), repulsion (Vee) 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 rm1, inter particle expectation value rm12 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). Copyright © 2021 Inderscience Enterprises Ltd.
引用
收藏
页码:92 / 101
页数:9
相关论文
共 24 条
  • [1] Confined two-electron systems: excited singlet and triplet S states
    H. E. Montgomery
    Vladimir I. Pupyshev
    Theoretical Chemistry Accounts, 2015, 134
  • [2] Confined two-electron systems: excited singlet and triplet S states
    Montgomery, H. E., Jr.
    Pupyshev, Vladimir I.
    THEORETICAL CHEMISTRY ACCOUNTS, 2014, 134 (01)
  • [3] Experimental and theoretical characterization of the long-range interaction between He*(3s) and He(1s)
    Bonifaci, Nelly
    Aitken, Frederic
    Atrazhev, Vladimir M.
    Fiedler, Steven L.
    Eloranta, Jussi
    PHYSICAL REVIEW A, 2012, 85 (04):
  • [4] Modified atomic orbital calculations for (1s, nl)L-3(pi) and (2)(1,0)(n) S-+/- 1,3(e) excited states of He isoelectronic sequence
    Sakho, I.
    JOURNAL OF ATOMIC AND MOLECULAR SCIENCES, 2010, 1 (03): : 224 - 242
  • [5] Theoretical investigation of the lowest singlet and triplet excited states in oligo(phenylene vinylene)s and oligothiophenes
    Beljonne, D
    Cornil, J
    Bredas, JL
    Friend, RH
    SYNTHETIC METALS, 1996, 76 (1-3) : 61 - 65
  • [6] Hund's rule in the (1s2s)1,3S states of the two-electron Debye atom
    Katriel, Jacob
    Montgomery, H. E., Jr.
    Sen, K. D.
    PHYSICS OF PLASMAS, 2018, 25 (09)
  • [7] Energy levels of 1s~2n d(n≤9)states for lithium-like ions
    胡木宏
    王治文
    曾凡伟
    王涛
    王晶
    Chinese Physics B, 2011, (08) : 173 - 179
  • [8] Real-Space Pseudopotential Method for the Calculation of 1s Core-Level Binding Energies
    Xu, Qiang
    Prendergast, David
    Qian, Jin
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2022, 18 (09) : 5471 - 5478
  • [9] Calculations of the 1s2ns High Rydberg States Spectrum of the Lithium Atom
    Chen, Chao
    CHINESE JOURNAL OF PHYSICS, 2014, 52 (04) : 1238 - 1247
  • [10] Radiative Cascade Repopulation of 1s2s2p 4P States Formed by Single Electron Capture in 2-18 MeV Collisions of C4+ (1s2s 3S) with He
    Zouros, Theo J. M.
    Nikolaou, Sofoklis
    Madesis, Ioannis
    Laoutaris, Angelos
    Nanos, Stefanos
    Dubois, Alain
    Benis, Emmanouil P.
    ATOMS, 2020, 8 (03)