Browsing School of Physics by Author "PEMMARAJU, SRI CHAITANYA"
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A variational pseudo-self-interaction correction approach: ab-initio description of correlated oxides and molecules
PEMMARAJU, SRI CHAITANYA; SANVITO, STEFANO (2011)We present a fully variational generalization of the pseudo self-interaction correction (VPSIC) approach previously presented in two implementations based on plane-waves and atomic orbital basis set, known as PSIC and ASIC, ...