Finite Element Method For the Solution of Diatomic Molecules

Published in Journal

Journal of Advances and Scholarly Researches in Allied Education [JASRAE] (Vol:16/ Issue: 1) DOI: 10.29070/JASRAE
Authors: Sushma Devi*,
Subjects: Multidisciplinary Academic Research

Year: Jan, 2019
Volume: 16 / Issue: 1
Pages: 2592 - 2597 (6)
Publisher: Ignited Minds Journals
Source:
E-ISSN: 2230-7540
DOI:
Published URL: http://ipublisher.in/p/293220
Published On: Jan, 2019

Article Details

Finite Element Method for the Solution of Diatomic Molecules | Original Article

Sushma Devi*, in Journal of Advances and Scholarly Researches in Allied Education | Multidisciplinary Academic Research

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ABSTRACT:

We introduce the finite-element approach and its use to solve diatomic molecular quantum-mechanical problems. H2 and Hartree-Fock-Slater measurements findings are provided for molecules such as N2 and CO. The precision obtained for the total energies of these structures of less than 5000 grid points is 10-8 au, which is around 2 orders greater than the sensitivity of any other process available.