Effective Static Approximation: A fast and reliable tool for Warm Dense Matter Theory
ORAL
Abstract
Warm dense matter (WDM) is an exotic state that occurs in astrophysical objects and is on the pathway towards inertial confinement fusion.
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)
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)
*This work was partly funded by the Center for Advanced Systems Understanding (CASUS) which is financed by the German Federal Ministry of Education andResearch (BMBF) and by the Saxon Ministry for Science, Art, and Tourism (SMWK) with tax funds on the basis of the budget approved by the Saxon State Parliament.
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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