89 citations · 128 across the 15 of their papers we have counts for
16 papers
The quadratic density response function for non-interacting fermions at arbitrary temperature
Pontus Svensson, Jan Vorberger, Zhandos A. Moldabekov +5
We develop and implement the quadratic density response function of non-interacting fermions at arbitrary temperature, frequencies, and wave vectors. Starting from a Green's functi…
Reconciling chemical models of X-ray Thomson Scattering with the Bethe -sum rule
Maximilian P. Böhme, Paul Hamann, Veronika A. Kruse +9
X-ray Thomson scattering (XRTS) is a key diagnostic for high-energy-density plasmas, which can exhibit significant quantum effects even at elevated temperatures. XRTS experiments a…
Reweighting Estimators for Density Response in Path Integral Monte Carlo: Applications to linear, nonlinear and cross-species density response
Pontus Svensson, Thomas Chuna, Jan Vorberger +5
We present density response estimators for Monte Carlo simulations that are based on a reweighting procedure, where the samples of an unperturbed system are used to estimate the pr…
Statistical theory of electronic degrees of freedom in wave packet molecular dynamics
Daniel Plummer, Pontus Svensson, Wiktor Jasniak +3
We derive statistical distributions for the degrees of freedom in wave packet molecular dynamics models. Specifically, a theory is developed for the width distributions of Gaussian…
Generalized density functional theory framework for the non-linear density response of quantum many-body systems
Zhandos A. Moldabekov, Cheng Ma, Xuecheng Shao +5
A density functional theory (DFT) framework is presented that links functional derivatives of free-energy functionals to non-linear static density response functions in quantum man…
Modeling partially-ionized dense plasma using wavepacket molecular dynamics
Daniel Plummer, Pontus Svensson, Wiktor Jasniak +3
We develop a wave packet molecular dynamics framework for modeling the structural properties of partially-ionized dense plasmas, based on a chemical model that explicitly includes…
Taylor series perspective on ab initio path integral Monte Carlo simulations with Fermi-Dirac statistics
Tobias Dornheim, Alexander Benedix Robles, Paul Hamann +6
The fermion sign problem constitutes a fundamental computational bottleneck across a plethora of research fields in physics, quantum chemistry and related disciplines. Recently, it…
Re-weighting estimator for ab initio path integral Monte Carlo simulations of fictitious identical particles
Tobias Dornheim, Pontus Svensson, Paul Hamann +4
The fermion sign problem constitutes one of the most fundamental obstacles in quantum many-body theory. Recently, it has been suggested to circumvent the sign problem by carrying o…
Accelerated free energy estimation in ab initio path integral Monte Carlo simulations
Pontus Svensson, Fotios Kalkavouras, Uwe Hernandez Acosta +4
We present a methodology for accelerating the estimation of the free energy from path integral Monte Carlo simulations by considering an intermediate artificial reference system wh…
Modelling of warm dense hydrogen via explicit real time electron dynamics: Electron transport properties
Pontus Svensson, Patrick Hollebon, Daniel Plummer +2
We extract electron transport properties from atomistic simulations of a two-component plasma, by mapping the long-wavelength behaviour to a two-fluid model. The mapping procedure…
Ionisation Calculations using Classical Molecular Dynamics
Daniel Plummer, Pontus Svensson, Dirk O. Gericke +3
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplish…
A molecular dynamics framework coupled with smoothed particle hydrodynamics for quantum plasma simulations
Thomas Campbell, Pontus Svensson, Brett Larder +3
We present a novel scheme for modelling quantum plasmas in the warm dense matter (WDM) regime via a hybrid smoothed particle hydrodynamic - molecular dynamic treatment, here referr…
Modelling of warm dense hydrogen via explicit real time electron dynamics: Dynamic structure factors
Pontus Svensson, Yusuf Aziz, Tobias Dornheim +5
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, b…
First principles simulations of dense hydrogen
Michael Bonitz, Jan Vorberger, Mandy Bethkenhagen +24
Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g. planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) a…
Bounds on heavy axions with an X-ray free electron laser
Jack W. D. Halliday, Giacomo Marocco, Konstantin A. Beyer +18
We present new exclusion bounds obtained at the European X-ray Free Electron Laser facility (EuXFEL) on axion-like particles (ALPs) in the mass range 10^{-3} eV < m_a < 10^4 eV. Ou…
Resonant inelastic x-ray scattering in warm-dense Fe compounds beyond the SASE FEL resolution limit
Alessandro Forte, Thomas Gawne, Karim K. Alaa El-Din +19
Resonant inelastic x-ray scattering (RIXS) is a widely used spectroscopic technique, providing access to the electronic structure and dynamics of atoms, molecules, and solids. Howe…