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Lattice density functional theory

Lattice density functional theory (LDFT) is a statistical theory used in physics and thermodynamics to model a variety of physical phenomena with… 
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Papers overview

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2013
2013
Cutting-edge technology needs small, ultrafast devices, operational in a wide range of regimes. This calls for solids with novel… 
2013
2013
Aalto University, P.O. Box 11000, FI-00076 Aalto www.aalto.fi Author Mari Ijäs Name of the doctoral dissertation Chemically… 
2012
2012
In this Thesis, we develop and apply an accurate method to determine the ground-state properties of strongly-correlated electrons… 
2006
2006
The goal of this research has been to generalize Density Functional Theory (DFT) for complex molecules, i.e. molecules whose size…