Guntram Rauhut
University of Stuttgart(DE)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Molecular Spectroscopy and Structure, Spectroscopy and Quantum Chemical Studies, Inorganic Fluorides and Related Compounds, Chemical Reactions and Mechanisms
Most-Cited Works
- → Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields(1995)1,877 cited
- → Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac–Hartree–Fock data(2004)968 cited
- → Efficient calculation of potential energy surfaces for the generation of vibrational wave functions(2004)300 cited
- → Local Treatment of Electron Correlation in Molecular Clusters: Structures and Stabilities of (H2O)n,n= 2−4(1998)240 cited
- → Analytical energy gradients for local second-order Mo/ller–Plesset perturbation theory(1998)218 cited
- → Comparison of NMR Shieldings Calculated from Hartree−Fock and Density Functional Wave Functions Using Gauge-Including Atomic Orbitals(1996)208 cited