:: Library Catalog

Image de couverture de livre

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Hamann, Paul, Vorberger, Jan, Dornheim, Tobias
Format:	Preprint
Publié:	2025
Sujets:	Chemical Physics
Accès en ligne:	https://arxiv.org/abs/2508.18935
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Ab initio path-integral Monte Carlo results for the one-particle spectral function of the warm dense electron gas
par: Hamann, Paul, et autres
Publié: (2026)

Reweighting Estimators for Density Response in Path Integral Monte Carlo: Applications to linear, nonlinear and cross-species density response
par: Svensson, Pontus, et autres
Publié: (2026)

Direct free energy calculation from ab initio path integral Monte Carlo simulations of warm dense matter
par: Dornheim, Tobias, et autres
Publié: (2024)

Re-weighting estimator for ab initio path integral Monte Carlo simulations of fictitious identical particles
par: Dornheim, Tobias, et autres
Publié: (2025)

Taylor series perspective on ab initio path integral Monte Carlo simulations with Fermi-Dirac statistics
par: Dornheim, Tobias, et autres
Publié: (2025)

η-ensemble path integral Monte Carlo approach to the free energy of the warm dense electron gas and the uniform electron liquid
par: Dornheim, Tobias, et autres
Publié: (2024)

Fermionic free energies from \textit{ab initio} path integral Monte Carlo simulations of fictitious identical particles
par: Dornheim, Tobias, et autres
Publié: (2025)

Chemical potential of the warm dense electron gas from ab initio path integral Monte Carlo simulations
par: Dornheim, Tobias, et autres
Publié: (2024)

Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: structural properties
par: Dornheim, Tobias, et autres
Publié: (2024)

Application of a spherically averaged pair potential in \emph{ab initio} path integral Monte Carlo simulations of the warm dense electron gas
par: Dornheim, Tobias, et autres
Publié: (2025)

Accelerated free energy estimation in ab initio path integral Monte Carlo simulations
par: Svensson, Pontus, et autres
Publié: (2025)

Exact series expansion for even frequency moments of the dynamic structure factor
par: Tolias, Panagiotis, et autres
Publié: (2025)

Quantum delocalization, structural order, and density response of the strongly coupled electron liquid
par: Dornheim, Tobias, et autres
Publié: (2024)

Estimating ionization states and continuum lowering from ab initio path integral Monte Carlo simulations for warm dense hydrogen
par: Bellenbaum, Hannah M., et autres
Publié: (2025)

Dynamic exchange-correlation effects in the strongly coupled electron liquid
par: Dornheim, Tobias, et autres
Publié: (2024)

Nonlocal vs Local Pseudopotentials Affect Kinetic Energy Kernels in Orbital-Free DFT
par: Moldabekov, Zhandos A., et autres
Publié: (2024)

Generalized density functional theory framework for the non-linear density response of quantum many-body systems
par: Moldabekov, Zhandos A., et autres
Publié: (2025)

Applying the Liouville-Lanczos Method of Time-Dependent Density-Functional Theory to Warm Dense Matter
par: Moldabekov, Zhandos A., et autres
Publié: (2025)

QMeCha: quantum Monte Carlo package for fermions in embedding environments
par: Barborini, Matteo, et autres
Publié: (2025)

Ultrafast Heating Induced Suppression of $d$-band Dominance in the Electronic Excitation Spectrum of Cuprum
par: Moldabekov, Zhandos, et autres
Publié: (2024)

Enhancing the Efficiency of Time-Dependent Density Functional Theory Calculations of Dynamic Response Properties
par: Moldabekov, Zhandos A., et autres
Publié: (2025)

Van-der-Waals exchange-correlation functionals and their high pressure and warm dense matter applications
par: Vorberger, Jan, et autres
Publié: (2025)

Ab initio density functional theory approach to warm dense hydrogen: from density response to electronic correlations
par: Moldabekov, Zhandos A., et autres
Publié: (2025)

NNQS-AFQMC: Neural network quantum states enhanced fermionic quantum Monte Carlo
par: Xiao, Zhi-Yu, et autres
Publié: (2025)

CO2 adsorption mechanisms in hydrated silica nanopores: Insights from grand canonical Monte Carlo to classical and ab initio molecular dynamics
par: Shi, Jihong, et autres
Publié: (2025)

Static linear density response from X-ray Thomson scattering measurements: a case study of warm dense beryllium
par: Schwalbe, Sebastian, et autres
Publié: (2025)

Non-Clifford diagonalization for measurement shot reduction in quantum expectation value estimation
par: Sawaya, Nicolas P. D., et autres
Publié: (2024)

Excited states in auxiliary field quantum Monte Carlo
par: Mahajan, Ankit, et autres
Publié: (2025)

Virial coefficients of the Uniform Electron Gas from Path Integral Monte Carlo Simulations
par: Röpke, Gerd, et autres
Publié: (2023)

Second roton feature in the strongly coupled electron liquid
par: Chuna, Thomas M., et autres
Publié: (2025)

TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods
par: Nakano, Kousuke, et autres
Publié: (2023)

Evaluating a quantum-classical quantum Monte Carlo algorithm with Matchgate shadows
par: Huang, Benchen, et autres
Publié: (2024)

Pseudo-grand canonical molecular dynamics via volumetrically controlled osmotic pressure
par: Armstrong, Blake I., et autres
Publié: (2025)

Temperature dependence of the dynamic structure factor of the electron liquid via analytic continuation
par: Chuna, Thomas, et autres
Publié: (2026)

Method-independent cusps for atomic orbitals in quantum Monte Carlo
par: Quady, Trine Kay, et autres
Publié: (2024)

Auxiliary-field quantum Monte Carlo method with quantum selected configuration interaction
par: Yoshida, Yuichiro, et autres
Publié: (2025)

Ab-initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo
par: Schätzle, Zeno, et autres
Publié: (2025)

Molecular dynamics simulations with grand-canonical reweighting suggest cooperativity effects in RNA structure probing experiments
par: Calonaci, Nicola, et autres
Publié: (2022)

Electron-pair densities with time-dependent quantum Monte-Carlo
par: Christov, Ivan P.
Publié: (2013)

Deep quantum Monte Carlo approach for polaritonic chemistry
par: Tang, Yifan, et autres
Publié: (2025)