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Recent experimental advances in strongly coupled light-matter systems has sparked the development of general ab-initio methods capable of describing interacting light-matter systems from first principles. One of these methods,…

化学物理 · 物理学 2022-10-12 Johannes Flick

We present a computational scheme for extracting the energy level alignment of a metal/molecule interface, based on constrained density functional theory and local exchange and correlation functionals. The method, applied here to benzene on…

材料科学 · 物理学 2015-06-17 A. M. Souza , I. Rungger , C. D. Pemmaraju , U. Schwingenschloegl , S. Sanvito

The formalism of electronic density-functional-theory, with Hubbard-U corrections (DFT+U), is employed in a computational study of the energetics of U_{1-x} Ce_x O_2 mixtures. The computational approach makes use of a procedure which…

材料科学 · 物理学 2012-03-08 B. E. Hanken , C. R. Stanek , N. Grønbech-Jensen , M. Asta

In this thesis we study the lateral electrostatic interaction between a pair of non-identical, moderately charged colloidal particles trapped at an electrolyte interface in the limit of short inter-particle separations. Using a simplified…

软凝聚态物质 · 物理学 2017-10-17 Timo Schmetzer

A subsystem approach for obtaining electron binding energies in the valence region and apply it to the case of halide ions (X$^-$, X = F-At) in water. This approach is based on electronic structure calculations combining the relativistic…

The fusion-by-diffusion model proposed by Swiatecki {\it et al.} [Phys. Rev. C71, 014602 (2005)] has provided a simple and convenient tool to estimate evaporation residue cross sections for superheavy nuclei. I extend this model by taking…

核理论 · 物理学 2018-07-18 K. Hagino

Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state…

介观与纳米尺度物理 · 物理学 2016-04-18 Daniel Karlsson , Claudio Verdozzi

Polymer self-consistent field theory techniques are used to derive quantum density functional theory without the use of the theorems of density functional theory. Instead, a free energy is obtained from a partition function that is…

化学物理 · 物理学 2022-11-29 Russell B. Thompson

We study the dynamics of overdamped Brownian particles diffusing in conservative force fields and undergoing stochastic resetting to a given location with a generic space-dependent rate of resetting. We present a systematic approach…

统计力学 · 物理学 2017-08-15 Édgar Roldán , Shamik Gupta

We develop a formally exact technique for obtaining steady-state distributions of non-interacting active Brownian particles in a variety of systems. Our technique draws on results from the theory of two-way diffusion equations to solve the…

软凝聚态物质 · 物理学 2017-04-06 Caleb G. Wagner , Michael F. Hagan , Aparna Baskaran

Muon-catalyzed nuclear fusion (\mucf) replaces atomic electrons with negative muons, compressing atomic orbitals by about two orders of magnitude and enabling deuterium--tritium (D--T) fusion under near-room-temperature conditions. This…

高能物理 - 唯象学 · 物理学 2026-05-27 Xiong Yin , Wei Kou , Xurong Chen

We investigate the microscopic mechanism of quantum energy transfer in the nonequilibrium spin-boson model. By developing a nonequilibrium polaron-transformed Redfield equation based on fluctuation decoupling, we dissect the energy transfer…

介观与纳米尺度物理 · 物理学 2015-08-11 Chen Wang , Jie Ren , Jianshu Cao

Existing data on near-barrier fusion excitation functions of medium and heavy nucleus-nucleus systems have been analyzed using a simple diffused barrier formula derived assuming the Gaussian shape of the barrier height distributions. Fusion…

核理论 · 物理学 2014-12-30 Debasis Atta , D. N. Basu

We present a model of non-ionizing scattering of electrons on atomic ensemble in matter, applicable in a wide electron energy range from ~eV up to relativistic ones. The approach based on the dynamic-structure factor formalism considers…

其他凝聚态物理 · 物理学 2025-04-17 N. Medvedev , D. I. Zainutdinov , A. E. Volkov

An approach to achieve nuclear fusion utilizing the formation of high densities of electrons and neutrals is described. The profusion of low energy electrons provides high dynamic electric fields that help reduce the Coulomb barrier in…

等离子体物理 · 物理学 2019-08-30 Alfred Y. Wong , Chun-Ching Shih

We demonstrate a compact ion beam device capable of accelerating H$^+$ and D$^+$ ions up to 75keV energy, on to a solid target, with sufficient beam current to study fusion reactions. The ion beam system uses a microwave driven plasma…

Most treatments of electron-electron correlations in dense plasmas either ignore them entirely (random phase approximation) or neglect the role of ions (jellium approximation). In this work, we go beyond both these approximations to derive…

等离子体物理 · 物理学 2020-02-05 Nathaniel R. Shaffer , Charles E. Starrett

Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the $N_{e}$ -electron systems in terms of the electron density $n_{\sigma e}\left( r\right) $ needed to…

材料科学 · 物理学 2024-07-19 A. Belhaj , S. E. Ennadifi

Ultrafast optical excitation of metals induces a non-equilibrium energy distribution in the electronic system, with a characteristic step-structure determined by Pauli blocking. On a femtosecond timescale, electron-electron scattering…

Using Brownian dynamics simulations, we investigate the effects of confinement, adsorption on surfaces and ion-ion interactions on the response of confined electrolyte solutions to oscillating electric fields in the direction perpendicular…

化学物理 · 物理学 2023-03-10 Thê Hoang Ngoc Minh , Gabriel Stoltz , Benjamin Rotenberg