Prof. Peter Schwerdtfeger
FRSNZ, FNZIC, MAPS, MACS
Centre for Theoretical Chemistry and Physics
New Zealand Institute for Advanced Study
Bldg. 44, Massey University (Albany Campus)
Private Bag 102904
North Shore MSC, 0745 Auckland
New Zealand
Phone (64) 09 443 9780
Fax (64) 09 443 9779
Email: p.a.schwerdtfeger@massey.ac.nz
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CURRENT AND FUTURE RESEARCH INTERESTS
Application of quantum theoretical methods:
– The chemistry and physics of heavy and superheavy elements
– First principles ab-initio and density functional studies for the solid state
– Chemistry at extreme conditions – materials under high pressure
– Theoretical studies on homogeneous and heterogeneous catalytic processes
– Structure and properties of coordination and organometallic compounds
– High precision calculations of atomic dipole polarizabilities
– Calculation of nuclear multipole moments and field gradients
– Accurate rotational-vibrational spectra for inorganic compounds
– Weak interactions (Van der Waals type) between atoms and molecules containing heavy elements
– Quantum chemical studies of hydrogen-storage materials
– Simulation of metal clusters and nano-materials
Theoretical Developments:
– Relativistic, quantum electrodynamic and electroweak interactions in atoms and molecules
– The development of accurate pseudopotentials and corresponding correlation consistent basis sets
– Relativistic solutions for confined atoms and molecules
– The construction of accurate permutation invariant many-body interaction potentials
– The simulation of melting processes using Monte-Carlo techniques
– Chemical Evolution Theory
– Variation of fundamental constants in space-time (together with V. V. Flambaum)
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