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Квантовое моделирование термодинамических свойств водородной плазмы в большом каноническом ансамбле: метод Фейнмановского функционального интеграла для ферми систем
Докладчик(и): Филинов А.В. (ОИВТ РАН, University Kiel) Дата, время проведения: 3 декабря 2020 года (четверг) в 11:00 Адрес: Семинар будет проводиться в режиме online через программу Zoom Аннотация: In recent years a significant progress has been achieved in studying exchange and correlation effects in fermionic systems using a fully anti-symmetrised density matrix propagator [1]. Ab initio results for the uniform electron gas (UEG) has been reported in a broad range of densities and temperatures [2]. Here we extend the ideas of Refs.[1,2] and formulate a new scheme for the grand canonical ensemble. Our simulations confirm the results of Ref.[2] for UEG and lead to new predictions including pressure, chemical potential, pair correlation and momentum distribution functions. Furthermore, we also simulate hydrogen plasma down to temperatures 15 000 K including the transition to a molecular phase. The isotherms for the pressure and the internal energy are compared with the DPIMC[3], FN-PIMC[4] and the hydrogen EOS based on DFT-MD [5]. Our results allow us to conclude on the accuracy of the fixed-node approximation depending on the degeneracy parameter. The authors gratefully acknowledge financial support from DFG via project BO1366/15 (Germany) and by the grant in the form of a subsidy for a large scientific project in priority areas of scientific and technological development No. 13.1902.21.0035 (Russia). [1] Siu A Chin, Phys. Rev. E, 031301 (2015); [2] T. Dornheim, S. Groth et al., Phys.Rep. 744, 1-86 (2018); [3] V.S. Filinov, V.E. Fortov, M. Bonitz, P.R. Levashov, JETP Lett. 72, 245 (2000a); V.S. Filinov et al, Phys. Lett. A 274, 228 (2000b) V.S. Filinov et al JETP Lett. 72, 245 (2000c) [4] B. Milizer et al., Phys.Rev.B 84, 224109 (2011); [5] A. Becker et al., Astrophys. Jour. Supp. Series 215, 21 (2014). Подключиться к конференции Zoom https://us02web.zoom.us/j/89054127011?pwd=bm94NGFJcTU2aDRFd0dNc1BXTHc2QT09 Идентификатор конференции: 890 5412 7011
Код доступа: biberman
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