Effective Static Approximation: A fast and reliable tool for Warm Dense Matter Theory
ORAL
Abstract
Yet, the theoretical description of WDM remains difficult. Here, we present an effective static approximation (ESA) for the local field correction, that combines a neural net representation [1] of G(q,0) with a consistent limit for large wave numbers q determined from the on-top pair distribution function g(0) [2]. Our scheme allows for the computation of electronic properties with high accuracy over the entire WDM regime without any additional computational cost compared to the random phase approximation. Therefore, it can be directly used for many applications such as the computation of conductivities and stopping powers, and as input for (TD-)DFT simulations, and for the interpretation of XRTS experiments.
[1] T. Dornheim et al., J. Chem. Phys. 151, 194104 (2019)
[2] T. Dornheim et al., arXiv:2008.02165 (submitted)
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Presenters
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Tobias Dornheim
Center for Advanced Systems Understanding, CASUS, Helmholtz Zentrum Dresden-Rossendorf, Matter Under Extreme Conditions, Center for Advanced Systems Understanding
Authors
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Tobias Dornheim
Center for Advanced Systems Understanding, CASUS, Helmholtz Zentrum Dresden-Rossendorf, Matter Under Extreme Conditions, Center for Advanced Systems Understanding
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Attila Cangi
CASUS, Helmholtz Zentrum Dresden-Rossendorf, Center for Advanced Systems Understanding (CASUS), Helmholtz Zentrum Dresden-Rossendorf, Center for Advanced Systems Understanding (CASUS), Helmholtz Zentrum Dresden-Rossendorf
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Kushal Ramakrishna
CASUS, Helmholtz Zentrum Dresden-Rossendorf, Helmholtz Zentrum Dresden-Rossendorf
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Maximilian Boehme
CASUS, Helmholtz Zentrum Dresden-Rossendorf, Matter Under Extreme Conditions, Center for Advanced Systems Understanding
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Jan Vorberger
Helmholtz-Zentrum Dresden-Rossendorf, Helmholtz Zentrum Dresden-Rossendorf