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First-Order Semidefinite Programming for the
Two-Electron Treatment of Many-Electron Atoms
and Molecules
David A Mazziotti
[email protected]
Department of Chemistry
The University of Chicago
Office: RI 340, 5640 S Ellis Ave
Chicago, IL 60637 (USA)
Abstract
Lecture will discuss the advancements in computing the two-electron
reduced density matrix for a many-electron atom or molecule without the many-electron wave function with special emphasis on the use
of first-order semidefinite programming [D. A. Mazziotti, Phys. Rev.
Lett. 93 (2004), 213001].
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