Electron correlation and Hund's rule
dc.contributor.author | Warner, J. W. | en_US |
dc.contributor.author | Bartell, Lawrence S. | en_US |
dc.contributor.author | Blinder, S. M. | en_US |
dc.date.accessioned | 2006-04-28T16:33:59Z | |
dc.date.available | 2006-04-28T16:33:59Z | |
dc.date.issued | 1980-10 | en_US |
dc.identifier.citation | Warner, J. W.; Bartell, L. S.; Blinder, S. M. (1980)."Electron correlation and Hund's rule." International Journal of Quantum Chemistry 18(4): 921-935. <http://hdl.handle.net/2027.42/37976> | en_US |
dc.identifier.issn | 0020-7608 | en_US |
dc.identifier.issn | 1097-461X | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/37976 | |
dc.description.abstract | It is suggested that simple electronic shielding effects induced by wave function antisymmetrization tend to govern the energy ordering of singlet and triplet terms within a two-electron atomic configuration. This approach gives rise to the following alternating rule: For the term of greatest orbital angular momentum within a configuration, the triplet lies below the singlet. The energy ordering reverses for the term of next highest angular momentum, and continues to alternate with each change of one unit in the orbital angular momentum until the term of lowest angular momentum is reached. In an examination of over 600 energy levels of the elements and their ions, the alternating rule reliably orders singlet–triplet energy levels in some 90% of the cases. | en_US |
dc.format.extent | 612851 bytes | |
dc.format.extent | 3118 bytes | |
dc.format.mimetype | application/pdf | |
dc.format.mimetype | text/plain | |
dc.language.iso | en_US | |
dc.publisher | John Wiley & Sons, Inc. | en_US |
dc.subject.other | Computational Chemistry and Molecular Modeling | en_US |
dc.subject.other | Atomic, Molecular and Optical Physics | en_US |
dc.title | Electron correlation and Hund's rule | en_US |
dc.type | Article | en_US |
dc.rights.robots | IndexNoFollow | en_US |
dc.subject.hlbsecondlevel | Chemical Engineering | en_US |
dc.subject.hlbsecondlevel | Chemistry | en_US |
dc.subject.hlbsecondlevel | Materials Science and Engineering | en_US |
dc.subject.hlbtoplevel | Engineering | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, U.S.A. | en_US |
dc.contributor.affiliationum | Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, U.S.A. | en_US |
dc.contributor.affiliationum | Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, U.S.A. | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/37976/1/560180403_ftp.pdf | en_US |
dc.identifier.doi | http://dx.doi.org/10.1002/qua.560180403 | en_US |
dc.identifier.source | International Journal of Quantum Chemistry | en_US |
dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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