نتایج جستجو برای: zero temperature

تعداد نتایج: 588090  

2014
Travis Sjostrom Jérôme Daligault

We develop the first-order gradient correction to the exchange-correlation free energy of the homogeneous electron gas for use in finite-temperature density functional calculations. Based on this, we propose and implement a simple temperature-dependent extension for functionals beyond the local density approximation. These finitetemperature functionals show improvement over zero-temperature fun...

Journal: :Journal of Integrated Circuits and Systems 2020

Journal: :Journal of Physics: Conference Series 2009

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