Local correlation energies of two-electron atoms and model systems
| dc.contributor.author | Huang, Chien-Jung | en_US |
| dc.contributor.author | Umrigar, C.J. | en_US |
| dc.date.accessioned | 2007-04-04T16:32:24Z | |
| dc.date.available | 2007-04-04T16:32:24Z | |
| dc.date.issued | 1997-01 | en_US |
| dc.description.abstract | We present nearly-local definitions of the correlation energy density, and its potential and kinetic components, and evaluate them for several two-electron systems. This information should provide valuable guidance in constructing better correlation functionals than those in common use. In addition, we demonstrate that the quantum chemistry and the density functional definitions of the correlation energy rapidly approach one another with increasing atomic number. | en_US |
| dc.format.extent | 447768 bytes | |
| dc.format.extent | 584556 bytes | |
| dc.format.mimetype | application/pdf | |
| dc.format.mimetype | application/postscript | |
| dc.identifier.citation | http://techreports.library.cornell.edu:8081/Dienst/UI/1.0/Display/cul.tc/97-267 | en_US |
| dc.identifier.uri | https://hdl.handle.net/1813/5597 | |
| dc.language.iso | en_US | en_US |
| dc.publisher | Cornell University | en_US |
| dc.subject | theory center | en_US |
| dc.title | Local correlation energies of two-electron atoms and model systems | en_US |
| dc.type | technical report | en_US |