%0 Journal Article %1 werner2020molpro %A Werner, Hans-Joachim %A Knowles, Peter J. %A Manby, Frederick R. %A Black, Joshua A. %A Doll, Klaus %A Heßelmann, Andreas %A Kats, Daniel %A Köhn, Andreas %A Korona, Tatiana %A Kreplin, David A. %A Ma, Qianli %A Miller, Thomas F. %A Mitrushchenkov, Alexander %A Peterson, Kirk A. %A Polyak, Iakov %A Rauhut, Guntram %A Sibaev, Marat %D 2020 %I AIP Publishing %J The Journal of Chemical Physics %K %N 14 %P 144107 %R 10.1063/5.0005081 %T The Molpro Quantum Chemistry Package %V 152

@article{werner2020molpro, added-at = {2023-08-31T14:49:38.000+0200}, affiliation = {Werner, HJ (Reprint Author), Univ Stuttgart, Inst Theoret Chem, Pfaffenwaldring 55, D-70569 Stuttgart, Germany. Werner, Hans-Joachim; Black, Joshua A.; Doll, Klaus; Hesselmann, Andreas; Koehn, Andreas; Kreplin, David A.; Ma, Qianli; Rauhut, Guntram, Univ Stuttgart, Inst Theoret Chem, Pfaffenwaldring 55, D-70569 Stuttgart, Germany. Knowles, Peter J.; Polyak, Iakov; Sibaev, Marat, Cardiff Univ, Sch Chem, Main Bldg,Pk Pl, Cardiff CF10 3AT, Wales. Manby, Frederick R., Univ Bristol, Sch Chem, Cantocks Close, Bristol BS8 1TS, Avon, England. Kats, Daniel, Max Planck Inst Solid State Res, Heisenbergstr 1, D-70569 Stuttgart, Germany. Korona, Tatiana, Univ Warsaw, Fac Chem, L Pasteura 1 St, PL-02093 Warsaw, Poland. Miller, Thomas F., III, CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. Mitrushchenkov, Alexander, Univ Gustave Eiffel, CNRS, MSME, UPEC, F-77454 Marne La Vallee, France. Peterson, Kirk A., Washington State Univ, Dept Chem, Pullman, WA 99164 USA.}, author = {Werner, Hans-Joachim and Knowles, Peter J. and Manby, Frederick R. and Black, Joshua A. and Doll, Klaus and Heßelmann, Andreas and Kats, Daniel and Köhn, Andreas and Korona, Tatiana and Kreplin, David A. and Ma, Qianli and Miller, Thomas F. and Mitrushchenkov, Alexander and Peterson, Kirk A. and Polyak, Iakov and Rauhut, Guntram and Sibaev, Marat}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/242c67f3db631e23f57f4382254f4826d/puma-wartung}, doi = {10.1063/5.0005081}, interhash = {25d5d3bf1b6ddb7970a1481244020a3a}, intrahash = {42c67f3db631e23f57f4382254f4826d}, issn = {{0021-9606} and {1089-7690}}, journal = {The Journal of Chemical Physics}, keywords = {}, language = {eng}, number = 14, orcid-numbers = {Werner, Hans-Joachim/0000-0002-0435-539X Doll, Klaus/0000-0002-4701-6654}, pages = 144107, publisher = {AIP Publishing}, research-areas = {Chemistry; Physics}, researcherid-numbers = {Werner, Hans-Joachim/G-9509-2011}, timestamp = {2023-08-31T12:49:38.000+0200}, title = {The Molpro Quantum Chemistry Package}, unique-id = {ISI:000526874200002}, volume = 152, year = 2020 }