Peter Schwerdtfeger
Peter Schwerdtfeger
Dist. Professor, Theoretical Chemistry and Physics, NZIAS, Massey University, Auckland, New Zealand
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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
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
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
The pseudopotential approximation in electronic structure theory
P Schwerdtfeger
ChemPhysChem 12 (17), 3143-3155, 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
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
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
Gold goes nano—from small clusters to low‐dimensional assemblies
P Schwerdtfeger
Angewandte Chemie International Edition 42 (17), 1892-1895, 2003
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
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
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
The topology of fullerenes
P Schwerdtfeger, LN Wirz, J Avery
Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (1), 96-145, 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
Relativistic Electronic Structure Theory: Part 2. Applications
P Schwerdtfeger
Elsevier, 2004
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
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
Colloquium: Superheavy elements: Oganesson and beyond
SA Giuliani, Z Matheson, W Nazarewicz, E Olsen, PG Reinhard, ...
Reviews of Modern Physics 91 (1), 011001, 2019
Nanoporous Graphene Membranes for Efficient 3He/4He Separation
AW Hauser, P Schwerdtfeger
The journal of physical chemistry letters 3 (2), 209-213, 2012
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
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
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