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Browsing by Author "Evangelisti, Stefano"
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Direct generation of local orbitals for multireference treatment and subsequent uses for the calculation of the correlation energy
Maynau, Daniel; Evangelisti, Stefano; Guihéry, Nathalie; Jiménez Calzado, Carmen; Malrieu, J.P. (American Institute of Physics Publising LLC, 2002)We present a method that uses the one-particle density matrix to generate directly localized orbitals dedicated to ...