[HTML][HTML] From density response to energy functionals and back: An ab initio perspective on matter under extreme conditions
Energy functionals serve as the basis for different models and methods in quantum and
classical many-particle physics. Arguably, one of the most successful and widely used …
classical many-particle physics. Arguably, one of the most successful and widely used …
[HTML][HTML] Toward first principles-based simulations of dense hydrogen
Accurate knowledge of the properties of hydrogen at high compression is crucial for
astrophysics (eg, planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …
astrophysics (eg, planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …
[HTML][HTML] Ab initio density response and local field factor of warm dense hydrogen
We present quasi-exact ab initio path integral Monte Carlo (PIMC) results for the partial static
density responses and local field factors of hydrogen in the warm dense matter regime, from …
density responses and local field factors of hydrogen in the warm dense matter regime, from …
Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid
The finite temperature version of the Vashishta-Singwi (VS) dielectric scheme for the
paramagnetic warm dense uniform electron fluid is revisited correcting for an earlier …
paramagnetic warm dense uniform electron fluid is revisited correcting for an earlier …
[HTML][HTML] Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties
We present extensive new ab initio path integral Monte Carlo (PIMC) results for a variety of
structural properties of warm dense hydrogen and beryllium. To deal with the fermion sign …
structural properties of warm dense hydrogen and beryllium. To deal with the fermion sign …
Unraveling electronic correlations in warm dense quantum plasmas
The study of matter at extreme densities and temperatures has emerged as a highly active
frontier at the interface of plasma physics, material science and quantum chemistry with …
frontier at the interface of plasma physics, material science and quantum chemistry with …
Direct free energy calculation from ab initio path integral Monte Carlo simulations of warm dense matter
We carry out highly accurate\emph {ab initio} path integral Monte Carlo (PIMC) simulations
to directly estimate the free energy of various warm dense matter systems including the …
to directly estimate the free energy of various warm dense matter systems including the …
First principles simulations of dense hydrogen
Accurate knowledge of the properties of hydrogen at high compression is crucial for
astrophysics (eg planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …
astrophysics (eg planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …
Normal liquid He studied by Path Integral Monte Carlo with a parametrized partition function
T Morresi, G Garberoglio - arXiv preprint arXiv:2410.01569, 2024 - arxiv.org
We compute the energy per particle of normal liquid ${}^ 3$ He in the temperature range
$0.15-2$ K using Path Integral Monte Carlo simulations, leveraging a recently proposed …
$0.15-2$ K using Path Integral Monte Carlo simulations, leveraging a recently proposed …
Quadratic scaling path integral molecular dynamics for fictitious identical particles and its application to fermion systems
Y Xiong, S Liu, H Xiong - Physical Review E, 2024 - APS
Recently, fictitious identical particles have provided a promising way to overcome the
fermion sign problem and have been used in path integral Monte Carlo to accurately …
fermion sign problem and have been used in path integral Monte Carlo to accurately …