Development and Implementation of Effective New Models for Electron Correlation

  • Gill, Peter (PI)

    Project: Research

    Project Details

    Description

    To develop two radical new approaches to solve the single most important issue confronting quantum chemistry - the electron correlation problem. The first approach hinges on a remarkable function, the Wigner intracule, which we introduced in 2003 and which provides previously unknown information about the relative positions and momenta of pairs of electrons in a system. The second approach is based on a new enumeration technique that we introduced in 2005 within the field of statistical hypothesis testing and which reduces the computing time required by a certain class of combinatorial problems from years to seconds.
    StatusFinished
    Effective start/end date1/01/0631/12/09

    Funding

    • Australian Research Council (ARC): A$238,000.00

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