Aufsatz
Estimation of the ground state correlation energy for isoelectronic series of 2 to 20 electrons
Abstract
Correlation energies for all isoelectronic sequences of 2 to 20 electrons and Z = 2 to
25 are obtained by taking differences between theoretical total energies of Dirac-Fock
calculations and experimental total energies. These are pure relativistic correlation energies because relativistic and QED effects are already taken care of. The theoretical as
well as the experimental values are analysed critically in order to get values as accurate
as possible. The correlation energies obtained show an essentially consistent behaviour from Z = 2 to 17. For Z > 17 inconsistencies occur indicating errors in the experimental values which become very large for Z > 25.
25 are obtained by taking differences between theoretical total energies of Dirac-Fock
calculations and experimental total energies. These are pure relativistic correlation energies because relativistic and QED effects are already taken care of. The theoretical as
well as the experimental values are analysed critically in order to get values as accurate
as possible. The correlation energies obtained show an essentially consistent behaviour from Z = 2 to 17. For Z > 17 inconsistencies occur indicating errors in the experimental values which become very large for Z > 25.
Citation
@article{urn:nbn:de:hebis:34-2008091523772,
author={Rashid, Khalid and Fricke, Burkhard and Heinemann, Dirk and Saadi, Z. A.},
title={Estimation of the ground state correlation energy for isoelectronic series of 2 to 20 electrons},
year={1987}
}
0500 Oax 0501 Text $btxt$2rdacontent 0502 Computermedien $bc$2rdacarrier 1100 1987$n1987 1500 1/eng 2050 ##0##urn:nbn:de:hebis:34-2008091523772 3000 Rashid, Khalid 3010 Fricke, Burkhard 3010 Heinemann, Dirk 3010 Saadi, Z. A. 4000 Estimation of the ground state correlation energy for isoelectronic series of 2 to 20 electrons / Rashid, Khalid 4030 4060 Online-Ressource 4085 ##0##=u http://nbn-resolving.de/urn:nbn:de:hebis:34-2008091523772=x R 4204 \$dAufsatz 4170 7136 ##0##urn:nbn:de:hebis:34-2008091523772
<resource xsi:schemaLocation="http://datacite.org/schema/kernel-2.2 http://schema.datacite.org/meta/kernel-2.2/metadata.xsd"> 2008-09-15T13:09:03Z 2008-09-15T13:09:03Z 1987 0178-7683 0722-3277 urn:nbn:de:hebis:34-2008091523772 http://hdl.handle.net/123456789/2008091523772 607580 bytes application/pdf eng Urheberrechtlich geschützt https://rightsstatements.org/page/InC/1.0/ 530 Estimation of the ground state correlation energy for isoelectronic series of 2 to 20 electrons Aufsatz Correlation energies for all isoelectronic sequences of 2 to 20 electrons and Z = 2 to 25 are obtained by taking differences between theoretical total energies of Dirac-Fock calculations and experimental total energies. These are pure relativistic correlation energies because relativistic and QED effects are already taken care of. The theoretical as well as the experimental values are analysed critically in order to get values as accurate as possible. The correlation energies obtained show an essentially consistent behaviour from Z = 2 to 17. For Z > 17 inconsistencies occur indicating errors in the experimental values which become very large for Z > 25. open access In: Zeitschrift für Physik / D. - Berlin [u.a.] : Springer, 7.1987, S. 139 - 146 Rashid, Khalid Fricke, Burkhard Heinemann, Dirk Saadi, Z. A. 31.20.Ej 31.20.Tz </resource>
The following license files are associated with this item:
:Urheberrechtlich geschützt