Peter Schwerdtfeger

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Michael DolgTheoretical Chemistry, Beijing Normal University/University of CologneVerified email at uni-koeln.de
Jon K LaerdahlOslo University HospitalVerified email at medisin.uio.no
Andreas HermannUniversity of EdinburghVerified email at ed.ac.uk
A. BorschevskyThe van Swinderen Institute, University of GroningenVerified email at rug.nl
Paul JerabekGroup Leader for In-silico Materials Design@Helmholtz-Zentrum HereonVerified email at hereon.de
Trond SaueResearcher, Laboratoire de Chimie et Physique Quantiques, CNRS/Université de ToulouseVerified email at irsamc.ups-tlse.fr
Alastair J NielsonMassey University, New ZealandVerified email at massey.ac.nz
Odile SmitsUniversity of Queensland, Brisbane, AustraliaVerified email at uq.edu.au
Matthias LeinSchool of Chemical and Physical Sciences, Victoria University of WellingtonVerified email at vuw.ac.nz
Witold NazarewiczProfessor of Physics, Michigan State UniversityVerified email at frib.msu.edu
Ralf Tonner-ZechUniversität LeipzigVerified email at uni-leipzig.de
Gloria Esperanza MoyanoInstituto de Química, Universidad de AntioquiaVerified email at udea.edu.co
Lukáš Félix PaštekaDepartment of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius UniversityVerified email at uniba.sk
Nicola GastonThe University of AucklandVerified email at auckland.ac.nz
James Reuben BrownUniversity of AucklandVerified email at auckland.ac.nz
lukas wirzUniversity of Helsinki, FinlandVerified email at helsinki.fi
Jan-Michael MewesMulliken Center for Theoretical Chemistry, Bonn University, GermanyVerified email at thch.uni-bonn.de
Andreas W. HauserAssociate Professor, Graz University of TechnologyVerified email at tugraz.at
John HarrisonAssociate Professor of Chemistry, Massey UniversityVerified email at massey.ac.nz
James AveryNiels Bohr Institute, University of CopenhagenVerified email at nbi.ku.dk

Peter Schwerdtfeger

Dist. Professor, Theoretical Chemistry and Physics, NZIAS, Massey University, Auckland, New Zealand

Verified email at massey.ac.nz - Homepage

Chemistry Physics Mathematics Theoretical Chemistry Theoretical Physics


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Relativistic effects in gold chemistry. I. Diatomic gold compounds P Schwerdtfeger, M Dolg, WH Schwarz, GA Bowmaker, PDW Boyd The Journal of chemical physics 91 (3), 1762-1774, 1989	944	1989
The accuracy of the pseudopotential approximation. II. A comparison of various core sizes for indium pseudopotentials in calculations for spectroscopic constants of InH, InF … T Leininger, A Nicklass, H Stoll, M Dolg, P Schwerdtfeger The Journal of chemical physics 105 (3), 1052-1059, 1996	642	1996
Accuracy of energy-adjusted quasirelativistic ab initio pseudopotentials: All-electron and pseudopotential benchmark calculations for Hg, HgH and their cations U Häussermann, M Dolg, H Stoll, H Preuss, P Schwerdtfeger, RM Pitzer Molecular Physics 78 (5), 1211-1224, 1993	525	1993
The pseudopotential approximation in electronic structure theory P Schwerdtfeger ChemPhysChem 12 (17), 3143-3155, 2011	366	2011
All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119 IS Lim, P Schwerdtfeger, B Metz, H Stoll The Journal of chemical physics 122 (10), 2005	351	2005
2018 Table of static dipole polarizabilities of the neutral elements in the periodic table P Schwerdtfeger, JK Nagle Molecular Physics 117 (9-12), 1200-1225, 2019	323	2019
A systematic search for minimum structures of small gold clusters Aun (n= 2–20) and their electronic properties B Assadollahzadeh, P Schwerdtfeger The Journal of chemical physics 131 (6), 2009	311	2009
Gold goes nano—from small clusters to low‐dimensional assemblies P Schwerdtfeger Angewandte Chemie International Edition 42 (17), 1892-1895, 2003	296	2003
Chemical bonding and bonding models of main-group compounds L Zhao, S Pan, N Holzmann, P Schwerdtfeger, G Frenking Chemical reviews 119 (14), 8781-8845, 2019	286	2019
A Comparative Computational Study of Cationic Coinage Metal−Ethylene Complexes (C₂H₄)M⁺ (M = Cu, Ag, and Au) RH Hertwig, W Koch, D Schröder, H Schwarz, J Hrušák, P Schwerdtfeger The Journal of Physical Chemistry 100 (30), 12253-12260, 1996	275	1996
Metallophilic Interactions in Closed‐Shell Copper(I) Compounds—A Theoretical Study HL Hermann, G Boche, P Schwerdtfeger Chemistry–A European Journal 7 (24), 5333-5342, 2001	267	2001
The topology of fullerenes P Schwerdtfeger, LN Wirz, J Avery Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (1), 96-145, 2015	260	2015
Relativistic small-core energy-consistent pseudopotentials for the alkaline-earth elements from Ca to Ra IS Lim, H Stoll, P Schwerdtfeger The Journal of chemical physics 124 (3), 2006	259	2006
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 … P Schwerdtfeger, GA Heath, M Dolg, MA Bennett Journal of the American Chemical Society 114 (19), 7518-7527, 1992	234	1992
Relativistic Electronic Structure Theory: Part 2. Applications P Schwerdtfeger Elsevier, 2004	233	2004
On the reliability of semi-empirical pseudopotentials: simulation of Hartree-Fock and Dirac-Fock results P Fuentealba, H Stoll, L Von Szentpaly, P Schwerdtfeger, H Preuss Journal of Physics B: Atomic and Molecular Physics 16 (11), L323, 1983	231	1983
Colloquium: Superheavy elements: Oganesson and beyond SA Giuliani, Z Matheson, W Nazarewicz, E Olsen, PG Reinhard, ... Reviews of Modern Physics 91 (1), 011001, 2019	217	2019
Nanoporous Graphene Membranes for Efficient ³He/⁴He Separation AW Hauser, P Schwerdtfeger The journal of physical chemistry letters 3 (2), 209-213, 2012	195	2012
Progress toward the first observation of parity violation in chiral molecules by high‐resolution laser spectroscopy B Darquié, C Stoeffler, A Shelkovnikov, C Daussy, A Amy‐Klein, ... Chirality 22 (10), 870-884, 2010	190	2010
Fully relativistic ab initio calculations of the energies of chiral molecules including parity-violating weak interactions JK Laerdahl, P Schwerdtfeger Physical Review A 60 (6), 4439, 1999	189	1999

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