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We present a new semi-empirical model for calculating electron transport in atomic-scale devices. The model is an extension of the Extended H\"uckel method with a self-consistent Hartree potential. This potential models the effect of an…

Mesoscale and Nanoscale Physics · Physics 2012-04-04 Kurt Stokbro , Dan Erik Petersen , Søren Smidstrup , Anders Blom , Mads Ipsen , Kristen Kaasbjerg

We present a novel semiclassical phase-space surface hopping approach that goes beyond the Born-Oppenheimer approximation and all existing surface hopping formalisms. We demonstrate that working with a correct phase-space electronic…

Chemical Physics · Physics 2024-10-03 Xuezhi Bian , Yanze Wu , Tian Qiu , Tao Zhen , Joseph E. Subotnik

We report the first direct observation of the decay of the excited-state population in electrons trapped on the surface of liquid helium. The relaxation dynamics, which are governed by inelastic scattering processes in the system, are…

Mesoscale and Nanoscale Physics · Physics 2021-03-17 Erika Kawakami , Asem Elarabi , Denis Konstantinov

The recent improvement in experimental capabilities for interrogating and controlling molecular systems with ultrafast coherent light sources calls for the development of theoretical approaches that can accurately and efficiently treat…

Chemical Physics · Physics 2024-08-20 Jonathan R. Mannouch , Aaron Kelly

We study the scattering of atoms, rotons and phonons at the free surface of $^4$He at normal incidence and calculate the evaporation, condensation and reflection probabilities. Assuming elastic one-to-one processes and using general…

Condensed Matter · Physics 2009-10-28 F. Dalfovo , M. Guilleumas , A. Lastri , L. Pitaevskii , S. Stringari

We study theoretically and experimentally the electronic relaxation of NO2 molecules excited by absorption of one ~400 nm pump photon. Semi-classical simulations based on trajectory surface hopping calculations are performed. They predict…

We investigate electronic correlation effects on edge states of quantum spin-Hall insulators within the Kane-Mele-Hubbard model by means of quantum Monte Carlo simulations. Given the U(1) spin symmetry and time-reversal invariance, the…

Strongly Correlated Electrons · Physics 2012-02-23 M. Hohenadler , F. F. Assaad

The dynamics of the random-phase sine-Gordon model, which describes 2D vortex-glass arrays and crystalline surfaces on disordered substrates, is investigated using the self-consistent Hartree approximation. The fluctuation-dissipation…

Condensed Matter · Physics 2009-10-22 D. Cule , Y. Shapir

A theory is developed for the evolution of the non-equilibrium distribution of quasiparticles when the scattering rate decreases due to particle collisions. We propose a "modified one-collision approximation" which is most effective for…

Disordered Systems and Neural Networks · Physics 2009-11-10 R. N. Gurzhi , A. I. Kopeliovich , A. N. Kalinenko , A. V. Yanovsky , E. N. Bogachek , Uzi Landman , H. Buhmann , L. W. Molenkamp

Low temperature surface diffusion is driven by the thermally activated hopping of adatoms between adsorption sites. Helium spin-echo techniques, capable of measuring the sub-picosecond motion of individual adatoms, have enabled the…

Statistical Mechanics · Physics 2022-01-13 J. Wilkinson , J. Ellis

The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…

Chemical Physics · Physics 2013-12-16 Wei Feng , Luting Xu , Xin-Qi Li , Weihai Fang

Instantons, semi-classical trajectories of quantum tunneling in imaginary time, have long been used to study thermodynamic and transport properties in a myriad of condensed matter and high energy systems. A recent experiment in…

We present one-dimensional numerical simulations describing the behavior of solid matter exposed to subpicosecond near infrared pulsed laser radiation. We point out to the role of strong isochoric heating as a mechanism for producing highly…

Other Condensed Matter · Physics 2007-05-23 Jean-Philippe Colombier , Patrick Combis , Razvan Stoian , Eric Audouard

We study the process of hydrodynamization in kinetic theories of gluons undergoing boost-invariant expansion using the Adiabatic Hydrodynamization (AH) framework. We study both number-conserving and non-conserving theories, and find that…

High Energy Physics - Phenomenology · Physics 2025-07-30 Krishna Rajagopal , Bruno Scheihing-Hitschfeld , Rachel Steinhorst

We analyze the experimental data on inelastic neutron scattering by a thin ~5-atomic-layer film of liquid helium at three different temperatures: T=0.4K, 0.98K and 1.3K. These data were partially published previously, but here we present…

Other Condensed Matter · Physics 2019-06-26 P. D. Grigoriev , A. D. Grigoriev , A. M. Dyugaev

We study, by means of the time-dependent Gutzwiller approximation, the out of equilibrium dynamics of a half-filled Hubbard-Holstein model of correlated electrons interacting with local phonons. Inspired by pump-probe experiments, where…

Strongly Correlated Electrons · Physics 2015-06-04 Patrice Andre' , Marco Schiro' , Michele Fabrizio

When a van-Hove singularity is located in the vicinity of the Fermi level, the electronic scattering rate acquires a non-analytic contribution. This invalidates basic assumptions of Fermi liquid theory and within perturbative treatments…

Strongly Correlated Electrons · Physics 2010-10-20 Sebastian Schmitt

Inelastic neutron scattering experiments on the Haldane-gap quantum antiferromagnet NDMAP are performed in magnetic fields below and above the critical field Hc at which the gap closes. Quasi-elastic neutron scattering is found for H>Hc…

Strongly Correlated Electrons · Physics 2009-11-07 A. Zheludev , Z. Honda , Y. Chen , C. L. Broholm , K. Katsumata

A nonrelativistic quantum mechanical particle moving freely on a curved surface feels the effect of the nontrivial geometry of the surface through the kinetic part of the Hamiltonian, which is proportional to the Laplace-Beltrami operator,…

Quantum Physics · Physics 2018-10-09 Neslihan Oflaz , Ali Mostafazadeh , Mehrdad Ahmady

The scattering phase shift of an electron transferred through a quantum dot is studied within a model Hamiltonian, accounting for both the electron--electron interaction in the dot and a finite temperature. It is shown that, unlike in an…

Condensed Matter · Physics 2009-10-28 Yuval Oreg , Yuval Gefen