相关论文: Self-consistent electron-THF cross sections derive…
Solving the electronic Schr\"odinger equation for strongly correlated systems remains one of the grand challenges in quantum chemistry. Here we demonstrate that Transformer architectures can be adapted to capture the complex grammar of…
Comparison of hydrodynamic and "hybrid" hydrodynamics+transport calculations to heavy-ion data inevitably requires the conversion of the fluid to particles. For dissipative fluids the conversion is ambiguous without additional theory input…
We study the interacting transport properties of twisted bilayer graphene (TBG) using the topological heavy-fermion (THF) model. In the THF model, TBG comprises localized, correlated $f$-electrons and itinerant, dispersive $c$-electrons. We…
Electronic transport properties for single-molecule junctions have been widely measured by several techniques, including mechanically controllable break junctions, electromigration break junctions or by means of scanning tunneling…
We present a detailed microscopic study of quasi-ballistic transport in deep submicron semiconductor channels. In particular, we study the crossover between the diffusive and ballistic regimes of transport and identify signatures in the…
A "scanning" drift tube apparatus, capable of mapping of the spatio-temporal evolution of electron swarms, developing between two plane electrodes under the effect of a homogeneous electric field, is presented. The electron swarms are…
In this paper we present a novel approach to FEL simulations based on the decomposition of the electromagnetic field in a finite number of radiation modes. The evolution of each mode amplitude is simply determined by energy conservation.…
We have developed a simulation system for nanoscale high-electron mobility transistors, in which the self-consistent solution of Poisson and Schr\"odinger equations is obtained with the finite element method. We solve the exact set of…
The density functional approach in the Kohn-Sham approximation is widely used to study properties of many-electron systems. Due to the nonlinearity of the Kohn-Sham equations, the general self-consistence searching method involves…
We report simultaneous NMR and electrical transport experiments in the pressure range near the boundary of the antiferromagnetic spin density wave (SDW) insulator and the metal-lic/superconducting (SC) phase in (TMTSF)2PF6. Measurements…
Cross section data are compiled from the literature for electron collisions with nitrogen trifluoride (NF$_3$) molecules. Cross sections are collected and reviewed for total scattering, elastic scattering, momentum transfer, excitations of…
We have presented a consistent electronic transport framework for the two-dimensional extended Holstein's organic molecular-crystal based upon complete quantum-mechanical treatment through the non-equilibrium Green's function (NEGF)…
Ab-initio electron - liquid phase xenon fully differential cross-sections for electrons scattering in liquid xenon are developed from a solution of the Dirac-Fock scattering equations, using a recently developed framework [1] which…
The charge carrier drift mobility in disordered semiconductors is commonly graphically extracted from time-of-flight (ToF) photocurrent transients yielding a single transit time. However, the term transit time is ambiguously defined and…
We review a calculation of the quantum corrections to electrical transport in graphene using the trajectory-based semiclassical method. Compared to conventional metals, for graphene the semiclassical propagator contains an additional…
It is well known that the self-consistent field (SCF) iteration for solving the Kohn-Sham (KS) equation often fails to converge, yet there is no clear explanation. In this paper, we investigate the SCF iteration from the perspective of…
A mixed quantum-classical approach to simulate the coupled dynamics of electrons and nuclei in nanoscale molecular systems is presented. The method relies on a second order expansion of the Lagrangian in time-dependent density functional…
Due to spectrum scarcity and increasing wireless capacity demands, terahertz (THz) communications at 0.1-10THz and the corresponding spectrum characterization have emerged to meet diverse service requirements in future 5G and 6G wireless…
For several years the electronic structure properties of the novel two-dimensional system silicene have been studied extensively. Electron transport across metal-silicence junctions, however, remains relatively unexplored. To address this…
Swarms of self-propelled particles exhibit complex behavior that can arise from simple models, with large changes in swarm behavior resulting from small changes in model parameters. We investigate the steady-state swarms formed by…