Results 171 to 180 of about 377,401 (276)

Molecular Resonance Identification in Complex Absorbing Potentials via Integrated Quantum Computing and High-Throughput Computing. [PDF]

J Chem Theory Comput
Dai J, Vidwans A, Wan EH, Miller AX, Soley MB.   +4 more
europepmc   +1 more source

Kinetic Contribution to the Arbitrary Order Odd Frequency Moments of the Dynamic Structure Factor

Contributions to Plasma Physics, EarlyView.
ABSTRACT An exact expression is derived for the kinetic contribution to the odd (arbitrary order) frequency moments of the dynamic structure factor via a finite summation that features averages of even (all lower orders) powers of the momentum over the exact momentum distribution.
Panagiotis Tolias, Tobias Dornheim, Jan Vorberger   +2 more
wiley   +1 more source

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

Contributions 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, Jan Vorberger, Tobias Dornheim   +2 more
wiley   +1 more source

Non-Hermitian Dynamics in Three-Level Systems: A Perturbative Approach for Time-Dependent Hamiltonians. [PDF]

Entropy (Basel)
La G, Li Y, Zheng G.
europepmc   +1 more source

Ultrafast Transitions in X‐Ray Irradiated Solids

Contributions 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, Konrad J. Kapcia, Vladimir Lipp, Beata Ziaja   +3 more
wiley   +1 more source

SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change. [PDF]

J Chem Theory Comput
Surjuse KA, Valeev EF.
europepmc   +1 more source

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

Contributions 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, Yaroslav Pavlyukh, Riku Tuovinen   +2 more
wiley   +1 more source

Tests Demonstrate the Accuracy of the <i>Q</i>_<i>im</i>-Reaction Path Hamiltonian for Double-Well Tunneling Splittings for H-Atom Transfer. [PDF]

J Phys Chem A
Qu C, Nandi A, Houston PL, Bowman JM.
europepmc   +1 more source

Stopping Power of Electron Liquid for Slow Quantum Projectiles

Contributions 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

Quantum charge transport in DNA and RNA systems coupled to nanoribbon electrodes. [PDF]

Discov Nano
Mousavi H.
europepmc   +1 more source