Publications by authors named "Detlev Figgen"

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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).
Detlev Figgen, Trond Saue, Peter Schwerdtfeger

J Chem Phys· June 2010

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NWHClI: a small and compact chiral molecule with large parity-violation effects in the vibrational spectrum.
Detlev Figgen, Anton Koers, Peter Schwerdtfeger

Angew Chem Int Ed Engl· April 2010

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A highly accurate potential energy curve for the mercury dimer.
Elke Pahl, Detlev Figgen, Christian Thierfelder, Kirk A Peterson, Florent Calvo

J Chem Phys· March 2010

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Energy-consistent pseudopotentials for the 5d elements--benchmark calculations for oxides, nitrides, and Pt(2).
Benjamin Spohn, Erich Goll, Hermann Stoll, Detlev Figgen, Kirk A Peterson

J Phys Chem A· November 2009

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Accurate potential energy surface and calculated spectroscopic properties for CdH2 isotopomers.
Peter Sebald, Rainer Oswald, Peter Botschwina, Hermann Stoll, Detlev Figgen

J Phys Chem A· October 2009

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Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt.
Detlev Figgen, Kirk A Peterson, Michael Dolg, Hermann Stoll

J Chem Phys· April 2009

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Structures, inversion barriers, and parity violation effects in chiral SeOXY molecules (X,Y = H, F, Cl, Br, or I).
Detlev Figgen, Peter Schwerdtfeger

J Chem Phys· February 2009

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On the performance of two-component energy-consistent pseudopotentials in atomic Fock-space coupled cluster calculations.
Detlev Figgen, Anja Wedig, Hermann Stoll, Michael Dolg, Ephraim Eliav

J Chem Phys· January 2008

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Energy-consistent relativistic pseudopotentials for the 4d elements: atomic and molecular applications.
Detlev Figgen, Kirk A Peterson, Hermann Stoll

J Chem Phys· January 2008

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Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd.
Kirk A Peterson, Detlev Figgen, Michael Dolg, Hermann Stoll

J Chem Phys· March 2007

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On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions.
Kirk A Peterson, Benjamin C Shepler, Detlev Figgen, Hermann Stoll

J Phys Chem A· December 2006

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A systematic ab initio study of the equilibrium geometry and vibrational wave numbers of bismuthine.
Jürgen Breidung, Walter Thiel, Detlev Figgen, Hermann Stoll

J Chem Phys· June 2004

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