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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 latestReleaseVersion "Molpro version 2015.1".
- MOLPRO operatingSystem Linux.
- MOLPRO operatingSystem Mac_OS.
- MOLPRO thumbnail MOLPRO_logo.jpg?width=300.
- MOLPRO wikiPageExternalLink www.molpro.net.
- MOLPRO wikiPageID "638971".
- MOLPRO wikiPageLength "10261".
- MOLPRO wikiPageOutDegree "35".
- MOLPRO wikiPageRevisionID "695007551".
- MOLPRO wikiPageWikiLink Ab_initio_quantum_chemistry_methods.
- MOLPRO wikiPageWikiLink Basis_set_(chemistry).
- MOLPRO wikiPageWikiLink CP2K.
- MOLPRO wikiPageWikiLink Cardiff_University.
- MOLPRO wikiPageWikiLink Category:Computational_chemistry_software.
- MOLPRO wikiPageWikiLink Computational_chemistry.
- MOLPRO wikiPageWikiLink Coupled_cluster.
- MOLPRO wikiPageWikiLink Density_functional_theory.
- MOLPRO wikiPageWikiLink Electronic_correlation.
- MOLPRO wikiPageWikiLink Full_configuration_interaction.
- MOLPRO wikiPageWikiLink GAMESS.
- MOLPRO wikiPageWikiLink Gaussian_(software).
- MOLPRO wikiPageWikiLink Global_Arrays.
- MOLPRO wikiPageWikiLink Grace_(plotting_tool).
- MOLPRO wikiPageWikiLink Hartree–Fock_method.
- MOLPRO wikiPageWikiLink Linux.
- MOLPRO wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
- MOLPRO wikiPageWikiLink MOLCAS.
- MOLPRO wikiPageWikiLink MPQC.
- MOLPRO wikiPageWikiLink Mac_OS.
- MOLPRO wikiPageWikiLink Multi-configurational_self-consistent_field.
- MOLPRO wikiPageWikiLink Multireference_configuration_interaction.
- MOLPRO wikiPageWikiLink NWChem.
- MOLPRO wikiPageWikiLink PQS_(chemical).
- MOLPRO wikiPageWikiLink PSI_(computational_chemistry).
- MOLPRO wikiPageWikiLink Q-Chem.
- MOLPRO wikiPageWikiLink Quantum_chemistry.
- MOLPRO wikiPageWikiLink TURBOMOLE.
- MOLPRO wikiPageWikiLink TeraChem.
- MOLPRO wikiPageWikiLink University_of_Stuttgart.
- MOLPRO wikiPageWikiLink File:MOLPRO_logo.jpg.
- MOLPRO wikiPageWikiLinkText "MOLPRO".
- MOLPRO developer "H.-J. Werner and P. J. Knowles".
- MOLPRO genre Computational_chemistry.
- MOLPRO latestReleaseVersion "Molpro version 2015.1".
- MOLPRO license "academic".
- MOLPRO logo "200".
- MOLPRO operatingSystem Linux.
- MOLPRO operatingSystem Mac_OS.
- MOLPRO wikiPageUsesTemplate Template:Columns-list.
- MOLPRO wikiPageUsesTemplate Template:Infobox_software.
- MOLPRO wikiPageUsesTemplate Template:URL.
- MOLPRO subject Category:Computational_chemistry_software.
- MOLPRO hypernym Package.
- MOLPRO type Software.
- MOLPRO type Work.
- MOLPRO type CreativeWork.
- MOLPRO type Thing.
- MOLPRO type Q386724.
- MOLPRO type Q7397.
- 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 Q6717040.
- MOLPRO sameAs m.02zh7_.
- MOLPRO sameAs Q6717040.
- MOLPRO wasDerivedFrom MOLPRO?oldid=695007551.
- MOLPRO depiction MOLPRO_logo.jpg.
- MOLPRO homepage www.molpro.net.
- MOLPRO isPrimaryTopicOf MOLPRO.
