Guntram Rauhut
Orcid: 0000-0003-0623-3254
According to our database1,
Guntram Rauhut
authored at least 9 papers
between 1993 and 2023.
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Bibliography
2023
J. Comput. Chem., January, 2023
2022
Advances in vibrational configuration interaction theory - part 2: Fast screening of the correlation space.
J. Comput. Chem., 2022
2021
Advances in vibrational configuration interaction theory - part 1: Efficient calculation of vibrational angular momentum terms.
J. Comput. Chem., 2021
2013
Efficient Calculation of Multi-dimensional Potential Energy Surfaces of Molecules and Molecular Clusters.
Proceedings of the High Performance Computing in Science and Engineering '13, 2013
1998
Integral transformation with low-order scaling for large local second-order Møller-Plesset calculations.
J. Comput. Chem., 1998
1997
Density functional based vibrational study of conformational isomers: Molecular rearrangement of benzofuroxan.
J. Comput. Chem., 1997
1996
Combined ab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide.
J. Comput. Chem., 1996
1994
The Natural Atomic Orbital Point Charge Model for PM3: Multipole Moments and Molecular Electrostatic Potentials.
J. Comput. Chem., 1994
1993
Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations.
J. Comput. Chem., 1993