Complex Analysis, Microlocal Calculus and Relativistic by D. Iagolnitzer PDF

By D. Iagolnitzer

ISBN-10: 3540099964

ISBN-13: 9783540099963

Foreign Colloquium on complicated research, Microlocal Calculus and Relativistic Quantum idea

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Springer, Heidelberg, pp 77–97 231. Burghardt I, Meyer H-D, Cederbaum LS (1999) Approaches to the approximate treatment of complex molecular systems by the multiconfiguration time-dependent Hartree method. J Chem Phys 111:2927–2939 232. Allan CSM, Lasorne B, Worth GA, Robb MA (2010) A straightforward method of analysis for direct quantum dynamics: Application to the photochemistry of a model cyanine. J Chem Phys 114:8713 233. Worth GA, Robb MA, Burghardt I (2004) Non-adiabatic direct dynamics using variaQ AQ manifold of the butatriene cation.

Phys Rev Lett 86:2253 205. Jankunas J, Zare RN, Bouakline F, Althorpe SC, Herràez-Aguilar D, Aoiz FJ (2012) Seemingly anomalous angular distribution in H C D2 reactive scattering. Science 336:1687 206. Melnik DG, Miller TA (2008) The changing shapes of molecules. Science 320:881 207. Bukowski R, Szalewicz K, Groenenboom GC, van der Avoird A (2007) Predictions of the properties of water from first principles. Science 315:1249 208. Leforestier C, Gatti F, Fellers RS, Saykally RJ (2002) Determination of a flexible (12D) water dimer potential via direct inversion of spectroscopic data.

In this respect, accurate quantum dynamics simulations are essential to gain deeper insight into this elementary steps, and thereby to progress in modeling and improving heterogeneous catalysis. Nowadays, quantum dynamics studies including explicitly all molecular degrees of freedom (DOFs) can be 1 Hydrogen may be considered the energy carrier of the future. 2 Elementary Molecule–Surface Scattering Processes Relevant to Heterogeneous . . 33 Fig. 1 Schematic representation of (a) vibrational states of a diatomic molecules and (b) vibrational softening performed almost routinely for H2 and its isotopes [32,53–55,57].

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Complex Analysis, Microlocal Calculus and Relativistic Quantum Theory by D. Iagolnitzer

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