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The Journal of Chemical Physics|February 12, 2009
Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theoryGuntram Rauhut, Gerald Knizia, Hans-Joachim Werner
The Journal of Physical Chemistry. A|February 3, 2006
Impact of local and density fitting approximations on harmonic vibrational frequenciesTomica Hrenar, Guntram Rauhut, Hans-Joachim Werner
The Journal of Chemical Physics|April 3, 2015
Communication: Improved pair approximations in local coupled-cluster methodsMax Schwilk, Denis Usvyat, Hans-Joachim Werner
The Journal of Chemical Physics|January 22, 2008
The barrier height of the F+H2 reaction revisited: coupled-cluster and multireference configuration-interaction benchmark calculationsHans-Joachim Werner, Mihály Kállay, Jürgen Gauss
The Journal of Chemical Physics|February 12, 2009
Simplified CCSD(T)-F12 methods: theory and benchmarksGerald Knizia, Thomas B Adler, Hans-Joachim Werner
The Journal of Chemical Physics|December 22, 2022
Thermochemical evaluation of adaptive and fixed density functional theory quadrature schemesAndreas Hesselmann, Hans-Joachim Werner, Peter J Knowles
The Journal of Chemical Physics|April 17, 2008
Correlation regions within a localized molecular orbital approachRicardo A Mata, Hans-Joachim Werner, Martin Schütz
The Journal of Chemical Physics|August 10, 2011
A new internally contracted multi-reference configuration interaction methodK R Shamasundar, Gerald Knizia, Hans-Joachim Werner
Faraday Discussions|October 9, 2004
Details and consequences of the nonadiabatic coupling in the Cl(2P) + H2 reactionMillard H Alexander, Gabriella Capecchi, Hans-Joachim Werner
The Journal of Chemical Physics|December 18, 2007
A simple and efficient CCSD(T)-F12 approximationThomas B Adler, Gerald Knizia, Hans-Joachim Werner
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