Publication: Calculation of Two-Center One-Electron Molecular Integrals and Their Application to a Real System
| dc.contributor.author | Kara, M | |
| dc.contributor.author | Simsek, M | |
| dc.date.accessioned | 2020-06-21T15:39:06Z | |
| dc.date.available | 2020-06-21T15:39:06Z | |
| dc.date.issued | 2004 | |
| dc.department | OMÜ | en_US |
| dc.department-temp | Ondokuz Mayis Univ, Amasya Educ Fac, Dept Phys, Amasya, Turkey -- Gazi Univ, Fac Arts & Sci, Dept Phys, TR-06500 Ankara, Turkey -- | en_US |
| dc.description.abstract | Applying the algorithm [B.A. Mamedov, M. Kara, M. Orbay, Chinese Journal of Phys., 40, 283 (2002)] to H-2(+) molecule ion, we have calculated two-center one electron molecular integrals and the orbital exponents and lower-lying energies for varying inter-nuclear distances. Moreover, the equilibrium position of the simplest molecule ion, H-2(+), is obtained by SCF-HFR method. The obtained results were found to be in best agreement with the prior literature. | en_US |
| dc.identifier.issn | 1099-8292 | |
| dc.identifier.issue | 3 | en_US |
| dc.identifier.uri | https://hdl.handle.net/20.500.12712/21477 | |
| dc.identifier.volume | 7 | en_US |
| dc.identifier.wos | WOS:000221935100001 | |
| dc.language.iso | en | en_US |
| dc.publisher | Info Trust Ltd | en_US |
| dc.relation.journal | Internet Journal of Chemistry | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Molecular Integrals | en_US |
| dc.subject | Slater Type Orbital | en_US |
| dc.subject | Hydrogen Molecule Ion | en_US |
| dc.title | Calculation of Two-Center One-Electron Molecular Integrals and Their Application to a Real System | en_US |
| dc.type | Article | en_US |
| dspace.entity.type | Publication |