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Guntram Rauhut
ORCID
Publication Activity (10 Years)
Years Active: 1993-2023
Publications (10 Years): 3
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J. Comput. Chem.
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Publications
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Moritz Schneider
,
Guntram Rauhut
Quantum chemical rovibrational analysis of aminoborane and its isotopologues.
J. Comput. Chem.
44 (3) (2023)
Tina Mathea
,
Taras Petrenko
,
Guntram Rauhut
Advances in vibrational configuration interaction theory - part 2: Fast screening of the correlation space.
J. Comput. Chem.
43 (1) (2022)
Tina Mathea
,
Guntram Rauhut
Advances in vibrational configuration interaction theory - part 1: Efficient calculation of vibrational angular momentum terms.
J. Comput. Chem.
42 (32) (2021)
Guntram Rauhut
,
Peter Pulay
,
Hans-Joachim Werner
Integral transformation with low-order scaling for large local second-order Møller-Plesset calculations.
J. Comput. Chem.
19 (11) (1998)
Guntram Rauhut
,
Andrzej A. Jarzecki
,
Peter Pulay
Density functional based vibrational study of conformational isomers: Molecular rearrangement of benzofuroxan.
J. Comput. Chem.
18 (4) (1997)
Guntram Rauhut
Combined ab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide.
J. Comput. Chem.
17 (16) (1996)
Bernd Beck
,
Guntram Rauhut
,
Timothy Clark
The Natural Atomic Orbital Point Charge Model for PM3: Multipole Moments and Molecular Electrostatic Potentials.
J. Comput. Chem.
15 (10) (1994)
Guntram Rauhut
,
Timothy Clark
Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations.
J. Comput. Chem.
14 (5) (1993)