David D O Regan: 1 book

Book cover of Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems
by David D. O'Regan
Language: English
Release Date: September 24, 2011

Density functional theory (DFT) has become the standard workhorse for quantum mechanical simulations as it offers a good compromise between accuracy and computational cost. However, there are many important systems for which DFT performs very poorly, most notably strongly-correlated materials, resulting...
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