Jürgen Gauß

Johannes Gutenberg University Mainz — Germany

Physics and Astronomy · Physical Sciences

85h-index29.9kcitations471works3.22yr avg
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Research Topics

Advanced Chemical Physics Studies(304), Molecular Spectroscopy and Structure(95), Spectroscopy and Quantum Chemical Studies(91), Atmospheric Ozone and Climate(87), Inorganic Fluorides and Related Compounds(65)

Publications471 total

Properties of stepwise parameter estimation in high-dimensional vine copulas
arXiv (Cornell University)·2025Open Access
Quaternary Ammonium Salts as Supporting Electrolytes in Cathodic Reductions: An Analysis of Their Electrochemical Stability
The Journal of Physical Chemistry B·2025· 4 citedOpen Access
Cholesky Decomposition and the Second-Derivative Two-Electron Integrals Required for the Computation of Magnetizabilities Using Gauge-Including Atomic Orbitals
The Journal of Physical Chemistry A·2024
Asymptotics for estimating a diverging number of parameters -- with and without sparsity
arXiv (Cornell University)·2024Open Access
Cholesky Decomposition and the Second-Derivative Two-Electron Integrals Required for the Computation of Magnetizabilities using Gauge-Including Atomic Orbitals
arXiv (Cornell University)·2024Open Access
Adaptive resolution force probe simulations: Coarse graining in the ideal gas approximation
The Journal of Chemical Physics·2024
High-Resolution Spectroscopy and Structure of Heavy Carbon Subchalcogenides: Tricarbon Selenide, C<sub>3</sub>Se
The Journal of Physical Chemistry A·2024
Exploiting Non-Abelian Point-Group Symmetry to Estimate the Exact Ground-State Correlation Energy of Benzene in a Polarized Split-Valence Triple-Zeta Basis Set
The Journal of Physical Chemistry Letters·2024· 1 cited
Cholesky Decomposition in Spin-Free Dirac–Coulomb Coupled-Cluster Calculations
The Journal of Physical Chemistry A·2024· 9 cited
Error Control and Automatic Detection of Reference Active Spaces in Many-Body Expanded Full Configuration Interaction
The Journal of Physical Chemistry A·2024· 4 cited
Exploiting Non-Abelian Point-Group Symmetry to Estimate the Exact Ground-State Correlation Energy of Benzene in a Polarized Split-Valence Triple-Zeta Basis Set
arXiv (Cornell University)·2024Open Access
Adaptive Resolution Force Probe Simulations: Coarse Graining in the Ideal Gas Approximation
arXiv (Cornell University)·2024Open Access
Cholesky decomposition in spin-free Dirac-Coulomb coupled-cluster calculations
arXiv (Cornell University)·2024Open Access
Error Control and Automatic Detection of Reference Active Spaces in Many-Body Expanded Full Configuration Interaction
arXiv (Cornell University)·2024Open Access
MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces
Journal of Chemical Theory and Computation·2024· 10 citedOpen Access
Choice of the Right Supporting Electrolyte in Electrochemical Reductions: A Principal Component Analysis
Journal of the American Chemical Society·2024· 12 cited
Choice of the right supporting electrolyte in electrochemical reductions: a principal component analysis
Zenodo (CERN European Organization for Nuclear Research)·2024Open Access
Theoretical prediction of closed‐shell paramagnetism for scandium and yttrium hydride
Journal of Computational Chemistry·2024· 1 citedOpen Access
The choice of the right supporting electrolyte in electrochemical reductions: a principal component analysis
Zenodo (CERN European Organization for Nuclear Research)·2024Open Access
Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules
Journal of Chemical Theory and Computation·2024· 18 citedOpen Access
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Frequent Co-authors

John F. Stanton(28), Mihály Kállay(11), Rodney J. Bartlett(7), John D. W. Watts(5), Péter G. Szalay(5), Trygve Helgaker(5), Yingxuan Wu(3), Michael E. Harding(3), Jeppe Olsen(3), Miriam Heckert(3), Attila Tajti(2), Attila G. Császár(2), Lan Cheng(2), Dage Sundholm(2), Yannick J. Bomble(2), Keld L. Bak(2), Poul Jørgensen(2), Cristina Puzzarini(2), Alexander A. Auer(2), Walter J. Lauderdale(2)