Localized Polycentric Orbital Basis Set for Quantum Monte Carlo Calculations Derived from the Decomposition of Kohn-Sham Optimized Orbitals

Author: Amovilli Claudio   Floris Franca Maria   Grisafi Andrea  

Publisher: MDPI

E-ISSN: 2079-3197|4|1|10-10

ISSN: 2079-3197

Source: Computation, Vol.4, Iss.1, 2016-02, pp. : 10-10

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Abstract