Jürgen Gauß
Johannes Gutenberg University Mainz(DE)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Molecular Spectroscopy and Structure, Spectroscopy and Quantum Chemical Studies, Atmospheric Ozone and Climate, Inorganic Fluorides and Related Compounds
Most-Cited Works
- → Coupled-cluster methods with noniterative triple excitations for restricted open-shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients(1993)1,995 cited
- → HEAT: High accuracy extrapolated ab initio thermochemistry(2004)794 cited
- → Effects of electron correlation in the calculation of nuclear magnetic resonance chemical shifts(1993)699 cited
- → Coupled-cluster techniques for computational chemistry: The CFOUR program package(2020)683 cited
- → Analytic energy derivatives for ionized states described by the equation-of-motion coupled cluster method(1994)608 cited
- → Calculation of current densities using gauge-including atomic orbitals(2004)556 cited
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