Methane adsorption on graphene from first principles including dispersion interaction C Thierfelder, M Witte, S Blankenburg, E Rauls, WG Schmidt
Surface Science 605 (7-8), 746-749, 2011
164 2011 Do we know the band gap of lithium niobate? C Thierfelder, S Sanna, A Schindlmayr, WG Schmidt
physica status solidi c 7 (2), 362-365, 2010
129 2010 Barium titanate ground-and excited-state properties from first-principles calculations S Sanna, C Thierfelder, S Wippermann, TP Sinha, WG Schmidt
Physical Review B 83 (5), 054112, 2011
111 2011 Quantum electrodynamic corrections for the valence shell in heavy many-electron atoms C Thierfelder, P Schwerdtfeger
Physical Review A 82 (6), 062503, 2010
87 2010 Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations C Thierfelder, A Hermann, P Schwerdtfeger, WG Schmidt
Physical Review B 74 (4), 045422, 2006
78 2006 Relativistic and electron correlation effects in static dipole polarizabilities for the group-14 elements from carbon to element Z= 114: Theory and experiment C Thierfelder, B Assadollahzadeh, P Schwerdtfeger, S Schäfer, R Schäfer
Physical Review A 78 (5), 052506, 2008
70 2008 A highly accurate potential energy curve for the mercury dimer E Pahl, D Figgen, C Thierfelder, KA Peterson, F Calvo, P Schwerdtfeger
The Journal of chemical physics 132 (11), 2010
63 2010 Cu 63 and Au 197 nuclear quadrupole moments from four-component relativistic density-functional calculations using correct long-range exchange C Thierfelder, P Schwerdtfeger, T Saue
Physical Review A 76 (3), 034502, 2007
51 2007 Improved dipole moments by combining short-range gradient-corrected density-functional theory with long-range wave-function methods E Goll, H Stoll, C Thierfelder, P Schwerdtfeger
Physical Review A 76 (3), 032507, 2007
45 2007 The Cu2 O2 torture track for a real‐life system: [Cu2 (btmgp)2 O2 ]2+ oxo and peroxo species in density functional calculations† M Rohrmüller, A Hoffmann, C Thierfelder, S Herres‐Pawlis, WG Schmidt
Journal of Computational Chemistry 36 (22), 1672-1685, 2015
42 2015 Scalar relativistic and spin-orbit effects in closed-shell superheavy-element monohydrides C Thierfelder, P Schwerdtfeger, A Koers, A Borschevsky, B Fricke
Physical Review A 80 (2), 022501, 2009
42 2009 Effect of relativity and electron correlation in static dipole polarizabilities of ytterbium and nobelium C Thierfelder, P Schwerdtfeger
Physical Review A 79 (3), 032512, 2009
30 2009 From clusters to the solid state: Global minimum structures for cesium clusters B Assadollahzadeh, C Thierfelder, P Schwerdtfeger
Physical Review B 78 (24), 245423, 2008
30 2008 Water adsorption on hydrogenated Si (1 1 1) surfaces B Lange, R Posner, K Pohl, C Thierfelder, G Grundmeier, S Blankenburg, ...
Surface Science 603 (1), 60-64, 2009
28 2009 Dirac-Hartree-Fock studies of X-ray transitions in meitnerium C Thierfelder, P Schwerdtfeger, FP Heßberger, S Hofmann
The European Physical Journal A 36, 227-231, 2008
26 2008 Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si (111)(4× 1)–(8× 2) nanowire array WG Schmidt, M Babilon, C Thierfelder, S Sanna, S Wippermann
Physical Review B 84 (11), 115416, 2011
22 2011 Kinetic and thermodynamic stability of the group 13 trihydrides B Vest, K Klinkhammer, C Thierfelder, M Lein, P Schwerdtfeger
Inorganic chemistry 48 (16), 7953-7961, 2009
22 2009 Relativistic coupled-cluster study of the parity-violation energy shift of CHFClBr C Thierfelder, G Rauhut, P Schwerdtfeger
Physical Review A 81 (3), 032513, 2010
19 2010 Nuclear quadrupole moment of La139 from relativistic electronic structure calculations of the electric field gradients in LaF, LaCl, LaBr, and LaI CR Jacob, L Visscher, C Thierfelder, P Schwerdtfeger
The Journal of chemical physics 127 (20), 2007
17 2007 Ethanol adsorbed on ice: A first-principles study C Thierfelder, WG Schmidt
Physical Review B 76 (19), 195426, 2007
16 2007 
Peter SchwerdtfegerDist. Professor, Theoretical Chemistry and Physics, NZIAS, Massey University, Auckland, New ZealandBestätigte E-Mail-Adresse bei massey.ac.nz
