ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT - Multireference configuration interaction - Document - PDFSEARCH.IO

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	ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT Add to Reading List Document Date: 2013-11-12 12:28:35 Open Document File Size: 177,96 KB Share Result on Facebook City AMES / / Company Ruedenberg / CHEMISTRY AND AMES LABORATORY / / Facility IOWA STATE UNIVERSITY / SCHMIDT DEPARTMENT OF CHEMISTRY AND AMES LABORATORY / / IndustryTerm interconnect hardware / chemical process / chemical accuracy / chemical reactions / potential energy surfaces / high energy metastable compounds / electronic structure algorithms / chemical reaction / non-interacting homogeneous electron gas / computational chemistry algorithms / energy gradient / dissociation energy / energy gap / chemical system / unsaturated transition metal compounds / potential energy curves / large applications / molecular systems / chemical processes / chemical problems / energy / / Organization IOWA STATE UNIVERSITY / International Criminal Court / / Person MARK S. GORDON / / Position General / / ProvinceOrState Iowa / / Technology MCSCF algorithms / artificial intelligence / electronic structure algorithms / computational chemistry algorithms / / SocialTag Theoretical chemistry Multi-configurational self-consistent field Electronic correlation GAMESS Complete active space Configuration interaction Coupled cluster Multireference configuration interaction Molecular orbital Chemistry

ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDTAdd to Reading List