Markovian approach of the electron localization functions

Authors

  • Mihai V. Putz

    1. Dipartimento di Chimica and Centro di Calcolo ad Alte Prestazioni per Elaborazioni Parallele e Distribuite-Centro d'Eccellenza MIUR, Università della Calabria, Via Pietro Bucci, Arcavacata di Rende (CS), I-87030, Italy
    2. Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany
    Current affiliation:
    1. Chemistry Department, West University of Timişoara, Str. Pestalozzi No. 16, Timisoara, RO-300115, Romania
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Abstract

By combining the path integral description of Markovian processes in terms of conditional probabilities with the catastrophe topological concepts alternative electron localization classes of functions (ELFs) are formulated, consistent with the Heisenberg and Pauli principles, complementing and augmenting the previous work of Becke and Edgecombe. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005

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