Show simple item record

dc.contributor.authorJobunga, Eric Ouma
dc.date.accessioned2024-02-27T08:39:58Z
dc.date.available2024-02-27T08:39:58Z
dc.date.issued2022-09-01
dc.identifier.citationJobunga, E. O. (2022). Symmetry-dependent analytical all-electron potential for helium atom. Results in Physics, 40, 105825.en_US
dc.identifier.otherhttps://doi.org/10.1016/j.rinp.2022.105825
dc.identifier.urihttp://ir.tum.ac.ke/handle/123456789/17478
dc.descriptionhttps://doi.org/10.1016/j.rinp.2022.105825en_US
dc.description.abstractElectron–electron interaction is the origin of the many-body problems usually encountered in physics and chemistry. Helium atom and other two-electron systems are the simplest many-body systems in nature. The Schrödinger equation even for such simple systems cannot be solved exactly without resorting to approximate methods. In this study, we have suggested a symmetry-dependent analytical all-electron potential for helium atom derived using an alternative multipole expansion, a variational technique, and a mean-field approximation. We have calculated the non-relativistic groundstate energy for helium atom to be −2.90422284. The suggested all-electron potential has a local Coulomb potential with embedded nuclear charge screening effect in the leading term of the multipole potential. A non-local component of the potential emanates from the higher-order angular momentum terms of the multipole series expansion. The higher-order multipole interactions are fully included through the exchange correlation processes where the interacting electrons exchange their angular momenta via the operator. With the derived potential, the effects of the local longrange and non-local short-range components, and the finite nuclear mass corrections are tested. Our results are in reasonable agreement with literature values. Indeed with the finite nuclear mass correction, we obtain the groundstate energy of helium atom to be −2.90382769.en_US
dc.description.sponsorshipTECHNICAL UNIVERSITY OF MOMBASAen_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.subjectAll-electron potentialen_US
dc.subjectMultipole expansion seriesen_US
dc.subjectHelium atomen_US
dc.subjectElectron–electron interactionen_US
dc.subjectElectronic structure calculationsen_US
dc.subjectCoulomb repulsion termen_US
dc.titleSymmetry-dependent analytical all-electron potential for helium atomen_US
dc.typeArticleen_US


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record