| Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16 … KA Peterson, D Figgen, E Goll, H Stoll, M Dolg The Journal of chemical physics 119 (21), 11113-11123, 2003 | 2329 | 2003 |
| Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac–Hartree–Fock data D Figgen, G Rauhut, M Dolg, H Stoll Chemical physics 311 (1-2), 227-244, 2005 | 1053 | 2005 |
| Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y–Pd KA Peterson, D Figgen, M Dolg, H Stoll The Journal of chemical physics 126 (12), 2007 | 994 | 2007 |
| On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions KA Peterson, BC Shepler, D Figgen, H Stoll The Journal of Physical Chemistry A 110 (51), 13877-13883, 2006 | 910 | 2006 |
| Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf–Pt D Figgen, KA Peterson, M Dolg, H Stoll The Journal of chemical physics 130 (16), 2009 | 748 | 2009 |
| 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 | 61 | 2010 |
| Accurate potential energy curves for the group 12 dimers Zn2, Cd2, and Hg2 E Pahl, D Figgen, A Borschevsky, KA Peterson, P Schwerdtfeger Theoretical Chemistry Accounts 129 (3), 651-656, 2011 | 39 | 2011 |
| NWHClI: a small and compact chiral molecule with large parity-violation effects in the vibrational spectrum. D Figgen, A Koers, P Schwerdtfeger Angewandte Chemie (International ed. in English) 49 (16), 2941-2943, 2010 | 30 | 2010 |
| SeOClI: A promising candidate for the detection of parity violation in chiral molecules D Figgen, P Schwerdtfeger Physical Review A—Atomic, Molecular, and Optical Physics 78 (1), 012511, 2008 | 27 | 2008 |
| Energy-consistent relativistic pseudopotentials for the 4d elements: Atomic and molecular applications D Figgen, KA Peterson, H Stoll The Journal of chemical physics 128 (3), 2008 | 22 | 2008 |
| On the performance of two-component energy-consistent pseudopotentials in atomic Fock-space coupled cluster calculations D Figgen, A Wedig, H Stoll, M Dolg, E Eliav, U Kaldor The Journal of chemical physics 128 (2), 2008 | 21 | 2008 |
| Relativistic four-and two-component calculations of parity violation effects in chiral tungsten molecules of the form NWXYZ (X, Y, Z= H, F, Cl, Br, or I) D Figgen, T Saue, P Schwerdtfeger The Journal of chemical physics 132 (23), 2010 | 20 | 2010 |
| Ab initio study of the spin–orbit coupling between the A and b3 Π u electronic states of Na2 S Soorkia, F Le Quere, C Léonard, D Figgen Molecular Physics 105 (9), 1095-1104, 2007 | 17 | 2007 |
| Calculated spectroscopic properties of HgH2 P Botschwina, P Sebald, D Figgen, H Stoll Molecular Physics 105 (9), 1193-1205, 2007 | 17 | 2007 |
| Energy-Consistent Pseudopotentials for the 5d ElementsBenchmark Calculations for Oxides, Nitrides, and Pt2 B Spohn, E Goll, H Stoll, D Figgen, KA Peterson The Journal of Physical Chemistry A 113 (45), 12478-12484, 2009 | 15 | 2009 |
| A systematic ab initio study of the equilibrium geometry and vibrational wave numbers of bismuthine J Breidung, W Thiel, D Figgen, H Stoll The Journal of chemical physics 120 (22), 10404-10413, 2004 | 11 | 2004 |
| Transferable scaling factors for vibrational force fields of halogenated molecules based on energy-consistent pseudopotentials D Figgen, B Metz, H Stoll, G Rauhut The Journal of Physical Chemistry A 106 (29), 6810-6816, 2002 | 7 | 2002 |
| Accurate Potential Energy Surface and Calculated Spectroscopic Properties for CdH2 Isotopomers P Sebald, R Oswald, P Botschwina, H Stoll, D Figgen The Journal of Physical Chemistry A 113 (43), 11772-11782, 2009 | 6 | 2009 |
| Comment on “Atomization energies and enthalpies of formation of the SnBin (n= 1–3) gaseous molecules by Knudsen cell mass spectrometry”[J. Chem. Phys. 116, 6957 (2002)] D Figgen, W Müller, M Schweizer, H Stoll, KA Peterson The Journal of Chemical Physics 118 (10), 4766-4767, 2003 | 6 | 2003 |
| NWHClI–ein kleines und kompaktes chirales Molekül mit großen Paritätsverletzungseffekten im Schwingungsspektrum D Figgen, A Koers, P Schwerdtfeger Angewandte Chemie 122 (16), 3003-3005, 2010 | 4 | 2010 |
