Concepedia
Journal of Quantitative Spectroscopy and Radiative Transfer · 2018 · 57 citations · 41 references
Open access
Natural SciencesChemistryPhysicsSpectroscopic AnalysisSpectroscopyInfrared SpectroscopyOptical SpectroscopySpectral InterpretationUltraviolet SpectroscopyMolecular Absorption Features
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The HITRAN2016 molecular spectroscopic database
Iouli E. Gordon, Laurence S. Rothman, C. Hill et al. · Journal of Quantitative Spectroscopy and Radiative Transfer · 2017 · 7.9K citations · Full text
Natural Sciences, Chemistry, Atmospheric Chemistry +16
An efficient internally contracted multiconfiguration–reference configuration interaction method
Hans‐Joachim Werner, Peter J. Knowles · The Journal of Chemical Physics · 1988 · 3.9K citations
Natural Sciences, Chemistry, Physics +15
Molpro: a general‐purpose quantum chemistry program package
Hans‐Joachim Werner, Peter J. Knowles, Gerald Knizia et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 3.8K citations
Natural Sciences, Chemistry, Physics +13
A second order multiconfiguration SCF procedure with optimum convergence
Hans‐Joachim Werner, Peter J. Knowles · The Journal of Chemical Physics · 1985 · 3.2K citations
Natural Sciences, Chemistry, Computer Science +16
An efficient method for the evaluation of coupling coefficients in configuration interaction calculations
Peter J. Knowles, Hans‐Joachim Werner · Chemical Physics Letters · 1988 · 2.9K citations
Natural Sciences, Chemistry, Computational Chemistry +3