deMon
| dc.date.accessioned | 2015-10-21T22:51:26Z | |
| dc.date.available | 2015-10-21T22:51:26Z | |
| dc.identifier.uri | http://hdl.handle.net/11256/465 | |
| dc.description | http://www.demon-software.com/public_html/support.html#manual | |
| dc.description.abstract | deMon (density of Montréal) is a software package for density functional theory (DFT) calculations. It uses the linear combination of Gaussian-type orbital (LCGTO) approach for the self-consistent solution of the Kohn-Sham (KS) DFT equations. The calculation of the four-center electron repulsion integrals is avoided by introducing an auxiliary function basis for the variational fitting of the Coulomb potential. | |
| dc.language | Eng | |
| dc.publisher | None listed | |
| dc.relation.hasversion | 3.0.6 | |
| dc.relation.isreferencedby | A.M. Koster, G. Geudtner, P. Calaminici, M.E. Casida, V.D. Dominguez, R. Flores-Moreno, G.U. Gamboa, A. Goursot, T. Heine, A. Ipatov, F. Janetzko, J.M. del Campo, J. U. Reveles, A. Vela, B. Zuniga-Gutierrez and D.R. Salahub, deMon2k, Version 3, The deMon developers, Cinvestav, Mexico City (2011). | |
| dc.rights | None stated | |
| dc.subject.other | ||
| dc.title | deMon | |
| dc.type | DFT | |
| dcterms.creator | Gerald Geudtner | |
| dcterms.license | http://www.demon-software.com/public_html/download.html#license | |
| cc.accessURL | http://www.demon-software.com/public_html/download.html | |
| cc.contact | Gerald Geudtner speedy@cenvestav.mx | |
| cc.cost | Free | |
| cc.implementation | http://www.demon-software.com/public_html/support.html | |
| cc.landingPageURL | http://www.demon-software.com/public_html/index.html | |
| cc.versionDate | 2014 |
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