Molpro: a general‐purpose quantum chemistry program package
Werner, Hans‐Joachim
, Knowles, Peter J. , Knizia, Gerald, Manby, Frederick R. and Schütz, Martin
(2012)
Molpro: a general‐purpose quantum chemistry program package.
WIREs Computational Molecular Science 2 (2), pp. 242-253.
Date of publication of this fulltext: 19 Dec 2024 09:42
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| Item type | Article | ||||
| Journal or Publication Title | WIREs Computational Molecular Science | ||||
| Publisher: | WILEY-BLACKWELL | ||||
|---|---|---|---|---|---|
| Place of Publication: | HOBOKEN | ||||
| Volume: | 2 | ||||
| Number of Issue or Book Chapter: | 2 | ||||
| Page Range: | pp. 242-253 | ||||
| Date | 2012 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > Prof. Dr. Martin Schütz | ||||
| Identification Number |
| ||||
| Keywords | MULTIREFERENCE PERTURBATION-THEORY; ANALYTICAL ENERGY GRADIENTS; COUPLED-CLUSTER THEORY; ELECTRON CORRELATION METHODS; CONFIGURATION-INTERACTION CALCULATIONS; DENSITY FITTING APPROXIMATIONS; LOCAL CORRELATION METHODS; REFERENCE WAVE-FUNCTIONS; AB-INITIO CALCULATION; TRIPLES CORRECTION T; | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 64012 |
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