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Type: BOOK - Published: 2011-09-20 - Publisher: John Wiley & Sons
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Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and
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Type: BOOK - Published: 2013 - Publisher: Nova Science Publishers
Density Functional Theory (DFT) is a quantum mechanical modelling method, used in physics and chemistry to investigate the electronic structure (principally the
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Type: BOOK - Published: 2012-12-06 - Publisher: Springer Science & Business Media
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Type: BOOK - Published: 2008-01-11 - Publisher: Springer
Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute prope