Results 181 to 190 of about 293,764 (287)

Reweighting Scheme for the Calculation of Grand‐Canonical Expectation Values in Quantum Monte Carlo Simulations With a Fermion Sign Problem

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT Ab initio path integral Monte Carlo (PIMC) simulations constitute the gold standard for the estimation of a broad range of equilibrium properties of a host of interacting quantum many‐body systems spanning a broad range of conditions from ultracold atoms to warm dense quantum plasmas.
Paul Hamann   +2 more
wiley   +1 more source

Ultrafast Transitions in X‐Ray Irradiated Solids

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT In this review, we present current developments on modeling ultrafast transitions in solids triggered by intense, atto‐ to femtosecond pulses from X‐ray free electron lasers. This specific irradiation regime requires dedicated simulation tools based on theoretical and computational methods, involving the elements of classical and quantum ...
Sebastião Antunes   +3 more
wiley   +1 more source

Stability Bounds for the Generalized Kadanoff‐Baym Ansatz in the Holstein Dimer

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT Predicting real‐time dynamics in correlated systems is demanding: exact two‐time Green's function methods are accurate but often too costly, while the Generalized Kadanoff‐Baym Ansatz (GKBA) offers time‐linear propagation at the risk of uncontrolled behavior. We examine when and why GKBA fails in a minimal yet informative setting, the Holstein
Oscar Moreno Segura   +2 more
wiley   +1 more source

Stopping Power of Electron Liquid for Slow Quantum Projectiles

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT We revisit the problem of the deceleration of a charge moving in a medium. In the low‐velocity limit of the projectile, we construct the fully nonlinear (in the charge–target interaction) theory of the stopping power (SP), which goes beyond the classical Ehrenfest dynamics.
Vladimir U. Nazarov, E. K. U. Gross
wiley   +1 more source

Confined Hot Carrier Cooling Via Excited‐State Energy Gap Engineering in Graphyne Carbon Allotropes

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The excited‐state energy gap (EEG), regulated by the concentration of sp‐hybridized carbon, provides an effective handle for tuning electron–phonon coupling behavior. This design enables long‐lived confinement of hot carriers near the top of the EEG with controllable energy levels.
Fulong Dai   +9 more
wiley   +1 more source

A Three‐Dimensional Structural Model for Predicting Magnetic Exchange and Hydrogen Positions in Bis‐μ‐Hydroxido Cu(II) Dimers

open access: yesEuropean Journal of Inorganic Chemistry, EarlyView.
Magneto‐structural correlation in bis‐μ‐hydroxido Cu(II) dimers: The out‐of‐plane angle (α) of bridging hydroxido groups critically influences the exchange coupling constant (J). A three‐dimensional correlation combining α and the Cu‐OH‐Cu angle (θ) enables computationally accurate J prediction.
Stefani Gamboa‐Ramirez   +6 more
wiley   +1 more source

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