TITLE:
Modified Atomic Orbital Calculations of Energy of the (2s2 1S) Ground-State, the (2p2 1D); (3d2 1D) and (4f2 1I) Doubly Excited States of Helium Isoelectronic Sequence from H- to Ca18+
AUTHORS:
Malick Sow, Ibrahima Sakho, Boubacar Sow, Abdou Diouf, Youssou Gning, Babou Diop, Matabara Dieng, Abdourahmane Diallo, Mamadou Diouldé Ba, Jean Kouhissoré Badiane, Mamadi Biaye, Ahmadou Wagué
KEYWORDS:
Modified Atomic Orbital Theory, Variational Calculations, Correlated Wavefunction, Energies, Ground-State, Doubly Excited States, Helium Isoelectronic Sequence, Atoms and Ions
JOURNAL NAME:
Journal of Applied Mathematics and Physics,
Vol.8 No.1,
January
6,
2020
ABSTRACT: We report in this paper the ground-state energy 2s2 1S and total energies of doubly excited states 2p2 1D, 3d2 1D, 4f2 1I of the Helium isoelectronic sequence from H- to Ca18+. Calculations are performed using the Modified Atomic Orbital Theory (MAOT) in the framework of a variational procedure. The purpose of this study required a mathematical development of the Hamiltonian applied to Slater-type wave function [1] combining with Hylleraas-type wave function [2]. The study leads to analytical expressions which are carried out under special MAXIMA computational program. This first proposed MAOT variational procedure, leads to accurate results in good agreement as well as with available other theoretical results than experimental data. In the present work, a new correlated wave function is presented to express analytically the total energies for the 2s2 1S ground state and each doubly 2p2 1D, 3d2 1D, 4f2 1I excited states in the He-like systems.The present accurate data may be a useful guideline for future experimental and theoretical studies in the (nl2) systems.