Matches in DBpedia 2014 for { <http://dbpedia.org/resource/MOLPRO> ?p ?o. }
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- MOLPRO abstract "MOLPRO is a software package used for accurate ab initio quantum chemistry calculations. It is developed by Peter Knowles at Cardiff University and Hans-Joachim Werner at Universität Stuttgart in collaboration with other authors.The emphasis in the program is on highly accurate computations, with extensive treatment of the electron correlation problem through the multireference configuration interaction, coupled cluster and associated methods. Integral-direct local electron correlation methods reduce the increase of the computational cost with molecular size. Accurate ab initio calculations can then be performed for larger molecules. With new explicitly correlated methods the basis set limit can be very closely approached.".
- MOLPRO genre Computational_chemistry.
- MOLPRO thumbnail Molpro_logo_aa_75.png?width=300.
- MOLPRO wikiPageExternalLink www.molpro.net.
- MOLPRO wikiPageID "638971".
- MOLPRO wikiPageRevisionID "602107475".
- MOLPRO genre Computational_chemistry.
- MOLPRO hasPhotoCollection MOLPRO.
- MOLPRO license "propietary".
- MOLPRO subject Category:Computational_chemistry_software.
- MOLPRO type Software.
- MOLPRO type Work.
- MOLPRO type CreativeWork.
- MOLPRO type InformationEntity.
- MOLPRO comment "MOLPRO is a software package used for accurate ab initio quantum chemistry calculations. It is developed by Peter Knowles at Cardiff University and Hans-Joachim Werner at Universität Stuttgart in collaboration with other authors.The emphasis in the program is on highly accurate computations, with extensive treatment of the electron correlation problem through the multireference configuration interaction, coupled cluster and associated methods.".
- MOLPRO label "MOLPRO".
- MOLPRO sameAs m.02zh7_.
- MOLPRO sameAs Q6717040.
- MOLPRO sameAs Q6717040.
- MOLPRO wasDerivedFrom MOLPRO?oldid=602107475.
- MOLPRO depiction Molpro_logo_aa_75.png.
- MOLPRO homepage www.molpro.net.
- MOLPRO isPrimaryTopicOf MOLPRO.
