Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session Y23: Materials in Extremes: Warm Dense Matter and HED Physics
11:30 AM–2:30 PM,
Friday, March 19, 2021
Sponsoring
Unit:
GSCCM
Chair: Francois Soubiran, CEA DAM lle-de-France
Abstract: Y23.00010 : Effective Static Approximation: A fast and reliable tool for Warm Dense Matter Theory*
1:42 PM–1:54 PM
Live
Presenter:
Tobias Dornheim
(CASUS, Helmholtz Zentrum Dresden-Rossendorf)
Authors:
Tobias Dornheim
(CASUS, Helmholtz Zentrum Dresden-Rossendorf)
Attila Cangi
(CASUS, Helmholtz Zentrum Dresden-Rossendorf)
Kushal Ramakrishna
(CASUS, Helmholtz Zentrum Dresden-Rossendorf)
Maximilian Boehme
(CASUS, Helmholtz Zentrum Dresden-Rossendorf)
Jan Vorberger
(Helmholtz-Zentrum Dresden-Rossendorf)
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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