A scheme of numerical solution for three-dimensional isoelectronic series of hydrogen atom using one-dimensional basis functions

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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Detail(s)

Original languageEnglish
Article numbere25694
Journal / PublicationInternational Journal of Quantum Chemistry
Volume118
Issue number19
Online published3 Sept 2018
Publication statusPublished - 5 Oct 2018

Abstract

The solution of three-dimensional Schrödinger wave equations of the hydrogen atoms and their isoelectronic ions (Z = 1 − 4) are obtained from the linear combination of one-dimensional hydrogen wave functions. The use of one-dimensional basis functions facilitates easy numerical integrations. An iteration technique is used to obtain accurate wave functions and energy levels. The obtained ground state energy level for the hydrogen atom converges stably to −0.498 a.u. The result shows that the novel approach is efficient for the three-dimensional solution of the wave equation, extendable to the numerical solution of general many-body problems, as has been demonstrated in this work with hydrogen anion.

Research Area(s)

  • ground state, hydrogen atom, iteration, one-dimensional basis function, Schrödinger wave equations

Citation Format(s)

A scheme of numerical solution for three-dimensional isoelectronic series of hydrogen atom using one-dimensional basis functions. / Rahman, Faiz Ur; Zhao, Rundong; Sarwono, Yanoar Pribadi et al.
In: International Journal of Quantum Chemistry, Vol. 118, No. 19, e25694, 05.10.2018.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review