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- Q6717040 subject Q6588146.
- Q6717040 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.".
- Q6717040 genre Q369472.
- Q6717040 latestReleaseVersion "Molpro version 2015.1".
- Q6717040 operatingSystem Q388.
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- Q6717040 thumbnail MOLPRO_logo.jpg?width=300.
- Q6717040 wikiPageExternalLink www.molpro.net.
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- Q6717040 genre Q369472.
- Q6717040 latestReleaseVersion "Molpro version 2015.1".
- Q6717040 operatingSystem Q388.
- Q6717040 operatingSystem Q43627.
- Q6717040 type CreativeWork.
- Q6717040 type Software.
- Q6717040 type Work.
- Q6717040 type Thing.
- Q6717040 type Q386724.
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- Q6717040 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.".
- Q6717040 label "MOLPRO".
- Q6717040 depiction MOLPRO_logo.jpg.
- Q6717040 homepage www.molpro.net.