Peter Schwerdtfeger

Research interests

Publications

• DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

  Physical Chemistry Chemical Physics · 2022 · https://doi.org/10.1039/d2cp02827a

• Colloquium : Superheavy elements: Oganesson and beyond

  Reviews of Modern Physics · 2019 · https://doi.org/10.1103/revmodphys.91.011001

• Chemical Bonding and Bonding Models of Main-Group Compounds

  Chemical Reviews · 2019 · https://doi.org/10.1021/acs.chemrev.8b00722

• 2018 Table of static dipole polarizabilities of the neutral elements in the periodic table

  Molecular Physics · 2018 · https://doi.org/10.1080/00268976.2018.1535143

• The topology of fullerenes

  Wiley Interdisciplinary Reviews Computational Molecular Science · 2014 · https://doi.org/10.1002/wcms.1207

• The Pseudopotential Approximation in Electronic Structure Theory

  ChemPhysChem · 2011 · https://doi.org/10.1002/cphc.201100387

• Clinical Predictors for Germline Mutations in Head and Neck Paraganglioma Patients: Cost Reduction Strategy in Genetic Diagnostic Process as Fall-Out

  Cancer Research · 2009 · https://doi.org/10.1158/0008-5472.can-08-4057

• A systematic search for minimum structures of small gold clusters Aun (n=2–20) and their electronic properties

  The Journal of Chemical Physics · 2009 · https://doi.org/10.1063/1.3204488

• Relativistic small-core energy-consistent pseudopotentials for the alkaline-earth elements from Ca to Ra

  The Journal of Chemical Physics · 2006 · https://doi.org/10.1063/1.2148945

• All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119

  The Journal of Chemical Physics · 2005 · https://doi.org/10.1063/1.1856451

• Gold Goes Nano—From Small Clusters to Low‐Dimensional Assemblies

  Angewandte Chemie International Edition · 2003 · https://doi.org/10.1002/anie.200201610

• Metallophilic Interactions in Closed-Shell Copper(I) Compounds—A Theoretical Study

  Chemistry - A European Journal · 2001 · https://doi.org/10.1002/1521-3765(20011217)7:24<5333::aid-chem5333>3.0.co;2-1

• Fully relativistic ab initio calculations of the energies of chiral molecules including parity-violating weak interactions

  Physical Review A · 1999 · https://doi.org/10.1103/physreva.60.4439

• A Comparative Computational Study of Cationic Coinage Metal−Ethylene Complexes (C2H4)M+ (M = Cu, Ag, and Au)

  The Journal of Physical Chemistry · 1996 · https://doi.org/10.1021/jp953064i

• The accuracy of the pseudopotential approximation. II. A comparison of various core sizes for indium pseudopotentials in calculations for spectroscopic constants of InH, InF, and InCl

  The Journal of Chemical Physics · 1996 · https://doi.org/10.1063/1.471950

• Accuracy of energy-adjusted quasirelativisticab initiopseudopotentials

  Molecular Physics · 1993 · https://doi.org/10.1080/00268979300100801

• Low valencies and periodic trends in heavy element chemistry. A theoretical study of relativistic effects and electron correlation effects in Group 13 and Period 6 hydrides and halides

  Journal of the American Chemical Society · 1992 · https://doi.org/10.1021/ja00045a027

• Relativistic effects in gold chemistry. I. Diatomic gold compounds

  The Journal of Chemical Physics · 1989 · https://doi.org/10.1063/1.457082

• On the reliability of semi-empirical pseudopotentials: simulation of Hartree-Fock and Dirac-Fock results

  Journal of Physics B Atomic and Molecular Physics · 1983 · https://doi.org/10.1088/0022-3700/16/11/001

Current projects

No projects listed.