Simplified CCSD(T)-F12 methods: theory and benchmarks
Knizia, Gerald, Adler, Thomas B, Werner, Hans-Joachim
Published in The Journal of chemical physics (07.02.2009)
Published in The Journal of chemical physics (07.02.2009)
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Journal Article
The Molpro quantum chemistry package
Werner, Hans-Joachim, Knowles, Peter J, Manby, Frederick R, Black, Joshua A, Doll, Klaus, Heßelmann, Andreas, Kats, Daniel, Köhn, Andreas, Korona, Tatiana, Kreplin, David A, Ma, Qianli, Miller, 3rd, Thomas F, Mitrushchenkov, Alexander, Peterson, Kirk A, Polyak, Iakov, Rauhut, Guntram, Sibaev, Marat
Published in The Journal of chemical physics (14.04.2020)
Published in The Journal of chemical physics (14.04.2020)
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Journal Article
Explicitly correlated multireference configuration interaction: MRCI-F12
Shiozaki, Toru, Knizia, Gerald, Werner, Hans-Joachim
Published in The Journal of chemical physics (21.01.2011)
Published in The Journal of chemical physics (21.01.2011)
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Journal Article
A simple and efficient CCSD(T)-F12 approximation
Adler, Thomas B, Knizia, Gerald, Werner, Hans-Joachim
Published in The Journal of chemical physics (14.12.2007)
Published in The Journal of chemical physics (14.12.2007)
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Journal Article
A new internally contracted multi-reference configuration interaction method
Shamasundar, K R, Knizia, Gerald, Werner, Hans-Joachim
Published in The Journal of chemical physics (07.08.2011)
Published in The Journal of chemical physics (07.08.2011)
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Journal Article
Accurate Calculations of Intermolecular Interaction Energies Using Explicitly Correlated Coupled Cluster Wave Functions and a Dispersion-Weighted MP2 Method
Marchetti, Oliver, Werner, Hans-Joachim
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.10.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.10.2009)
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Journal Article
General orbital invariant MP2-F12 theory
Werner, Hans-Joachim, Adler, Thomas B, Manby, Frederick R
Published in The Journal of chemical physics (28.04.2007)
Published in The Journal of chemical physics (28.04.2007)
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