Peter Schwerdtfeger

Research.com Recognitions

• 2026 - Research.com Chemistry in New Zealand Leader Award
• 2025 - Research.com Chemistry in New Zealand Leader Award
• 2022 - Research.com Chemistry in New Zealand Leader Award
• 1997 - Fellow of the Royal Society of New Zealand

Overview

Best Publications

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

  Peter Schwerdtfeger;Michael Dolg;W. H. Eugen Schwarz;Graham A. Bowmaker

  963
  Citations

• 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

  Thierry Leininger;Andreas Nicklass;Hermann Stoll;Michael Dolg

  495
  Citations

• Accuracy of energy-adjusted quasirelativistic ab initio pseudopotentials

  U. Häussermann;M. Dolg;H. Stoll;H. Preuss

  404
  Citations

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

  Peter Schwerdtfeger;Jeffrey K. Nagle

  372
  Citations

• Chemical Bonding and Bonding Models of Main-Group Compounds

  Lili Zhao;Sudip Pan;Nicole Holzmann;Peter Schwerdtfeger

  358
  Citations

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

  Ivan S. Lim;Peter Schwerdtfeger;Bernhard Metz;Hermann Stoll

  351
  Citations

• The Pseudopotential Approximation in Electronic Structure Theory

  Peter Schwerdtfeger;Peter Schwerdtfeger

  316
  Citations

• Gold goes nano--from small clusters to low-dimensional assemblies.

  Peter Schwerdtfeger

  299
  Citations

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

  Behnam Assadollahzadeh;Peter Schwerdtfeger

  276
  Citations

• Metallophilic interactions in closed-shell copper(I) compounds--a theoretical study.

  Holger L. Hermann;Gernot Boche;Peter Schwerdtfeger

  268
  Citations

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

  Roland H. Hertwig;Wolfram Koch;and Detlef Schröder;Helmut Schwarz

  267
  Citations

• Relativistic electronic structure theory

  Peter Schwerdtfeger

  263
  Citations

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

  Ivan S. Lim;Hermann Stoll;Peter Schwerdtfeger

  249
  Citations

• The topology of fullerenes

  Peter Schwerdtfeger;Peter Schwerdtfeger;Lukas Wirz;James Emil Avery

  247
  Citations

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

  P Fuentealba;H Stoll;L von Szentpaly;P Schwerdtfeger

  246
  Citations

• Colloquium : Superheavy elements: Oganesson and beyond

  S. A. Giuliani;Z. Matheson;W. Nazarewicz;E. Olsen

  243
  Citations

• 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

  Peter Schwerdtfeger;Graham A. Heath;Michael Dolg;Martin A. Bennett

  197
  Citations

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

  Jon K. Laerdahl;Peter Schwerdtfeger

  195
  Citations

• Nanoporous Graphene Membranes for Efficient 3He/4He Separation

  Andreas W. Hauser;Peter Schwerdtfeger;Peter Schwerdtfeger

  187
  Citations

• Progress toward the first observation of parity violation in chiral molecules by high-resolution laser spectroscopy.

  Benoît Darquié;Clara Stoeffler;Alexander Shelkovnikov;Christophe Daussy

  187
  Citations

• Homogeneous Gold Catalysis through Relativistic Effects: Addition of Water to Propyne

  Matthias Lein;A. Stephen K. Hashmi;Peter Schwerdtfeger

  184
  Citations