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.
Status | Finished |
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Effective start/end date | 1/01/06 → 31/12/09 |
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