Guntram Rauhut
11PUBLICATIONS
27CO-AUTHORS
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Publications (11)
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|Apr 03, 2021
Incremental vibrational configuration interaction theory, iVCI: Implementation and benchmark calculations.Benjamin Schröder, Guntram Rauhut
|Mar 09, 2021
Assignment of vibrational states within configuration interaction calculations.Tina Mathea, Guntram Rauhut
|Jul 03, 2020
Toward a fully automated calculation of rovibrational infrared intensities for semi-rigid polyatomic molecules.Sebastian Erfort, Martin Tschöpe, Guntram Rauhut
|May 10, 2020
Ab initio calculation of rovibrational states for non-degenerate double-well potentials: cis-trans isomerization of HOPO.Sebastian Erfort, Martin Tschöpe, Guntram Rauhut
|Apr 17, 2020
The Molpro quantum chemistry package.Hans-Joachim Werner, Peter J Knowles, Frederick R Manby
|Mar 23, 2020
Account of non-Condon effects in time-independent Raman wavefunction theory: Calculation of the S1← S0 vibronic absorption spectrum of formaldehyde.Taras Petrenko, Guntram Rauhut
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Frequent Collaborators
2 joint publications
Martin Tschöpe
2 joint publications
Sebastian Erfort
1 joint publications
J van Slageren
1 joint publications
Jan Meisner
1 joint publications
Philipp P Hallmen
1 joint publications
Johannes Kästner
1 joint publications
Taras Petrenko
1 joint publications
Hans-Joachim Werner
1 joint publications
Benjamin Schröder
1 joint publications
Frederick R Manby
