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Disambiguation of "Rauhut, Guntram"

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Energy-consistent pseudopotentials for group 11 and 12 atoms: Adjustment to multi-configuration Dirac-Hartree-Fock data

, , , and . Chem. Phys., 311 (1-2 SPEC.ISS.): 227–244 (April 2005)
DOI: 10.1016/j.chemphys.2004.10.005

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apl. Prof. Dr. Guntram Rauhut University of Stuttgart

 

Other publications of authors with the same name

A computational study on the mechanism and kinetics of the pyrolysis of 2-nitrophenyl azide, and . J. Phys. Chem. A, 103 (45): 9086–9092 (November 1999)Azidoacetylene-interpretation of gas phase infrared spectra based on high-level vibrational configuration interaction calculations, , , , and . Phys. Chem. Chem. Phys., 15 (18): 6719–6725 (2013)Hydrogen storage by physisorption on dodecahydro-closo-dodecaboranes, , , and . Phys. Chem. Chem. Phys., 15 (16): 5836–5843 (2013)Transferable scaling factors for vibrational force fields of halogenated molecules based on energy-consistent pseudopotentials, , , and . J. Phys. Chem. A, 106 (29): 6810–6816 (July 2002)Combined ab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide. J. Comput. Chem., 17 (16): 1848–1856 (1996)Electron-Transfer Reactions: AM1 and ab Initio Studies on Self-Exchange in p-Diaminobenzene Systems, and . J. Am. Chem. Soc., 115 (20): 9127–9135 (1993)Convergence of vibrational angular momentum terms within the Watson Hamiltonian, , , and . J. Chem. Phys., 134 (6): 064105 (February 2011)Erratum: Toward large scale vibrational configuration interaction calculations (Journal of Chemical Physics (2009) 131 (124129)), and . J. Chem. Phys., 131 (22): 229901 (2009)Analytical energy gradients for local second-order Møller-Plesset perturbation theory, , , and . J. Chem. Phys., 108 (13): 5185–5193 (April 1998)Configuration selection within vibrational multiconfiguration self-consistent field theory: Application to bridged lithium compounds, , and . J. Chem. Phys., 134 (20): 204108 (2011)