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We investigate the description of excitonic effects within time-dependent density-functional theory (TDDFT). The exchange-correlation kernel f_xc introduced in TDDFT allows a clear separation of quasiparticle and excitonic effects. Using a…

Other Condensed Matter · Physics 2007-05-23 R. Stubner , I. V. Tokatly , O. Pankratov

We theoretically study the effect of THz radiation on the linear optical absorption spectra of semiconductor structures. A general theoretical framework, based on non-equilibrium Green functions, is formulated, and applied to the…

Mesoscale and Nanoscale Physics · Physics 2009-10-30 Kristinn Johnsen , Antti-Pekka Jauho

Quantum effects of plasmonic phenomena have been explored through ab-initio studies, but only for exceedingly small metallic nanostructures, leaving most experimentally relevant structures too large to handle. We propose instead an…

Mesoscale and Nanoscale Physics · Physics 2015-09-24 Wei Yan , Martijn Wubs , N. Asger Mortensen

We present an exact decomposition of the complete wavefunction for a system of nuclei and electrons evolving in a time-dependent external potential. We derive formally exact equations for the nuclear and electronic wavefunctions that lead…

Other Condensed Matter · Physics 2015-05-19 Ali Abedi , Neepa T. Maitra , E. K. U. Gross

We formulate a time-dependent density-matrix functional theory (TDDMFT) approach for higher-order correlation effects like biexcitons in optical processes in solids based on the reduced two-particle density-matrix formalism within the…

Materials Science · Physics 2015-05-19 Volodymyr Turkowski , Carsten A. Ullrich , Talat S. Rahman , Michael N. Leuenberger

By minimizing the difference between the left- and the right-hand sides of the many-body time-dependent Schr\"{o}dinger equation with the Slater-determinant wave-function, we derive a non-adiabatic and self-interaction free time-dependent…

Quantum Physics · Physics 2013-04-26 V. U. Nazarov

A theoretical study of the intense-field multiphoton ionization of hydrogenlike systems is performed by solving the time-dependent Dirac equation within the dipole approximation. It is shown that the velocity-gauge results agree to the ones…

Quantum Physics · Physics 2015-05-27 Yulian V. Vanne , Alejandro Saenz

We describe an ab initio and non-perturbative $R$-matrix with time-dependence theory for ultrafast atomic processes in light fields of arbitrary polarization. The theory is applicable to complex, multielectron atoms and atomic ions subject…

Atomic Physics · Physics 2018-12-04 D. D. A. Clarke , G. S. J. Armstrong , A. C. Brown , H. W. van der Hart

A gas of ultracold interacting quantum degenerate Fermions is considered in a three dimensional optical lattice which is externally modulated in the fre- quency and the amplitude. This theoretical study utilizes the Keldysh formalism to…

Quantum Gases · Physics 2014-01-21 Regine Frank

A new energy-based stochastic extension of the Schrodinger equation for which the wave function collapses after the passage of a finite amount of time is proposed. An exact closed-form solution to the dynamical equation, valid for all…

Quantum Physics · Physics 2009-11-11 Dorje C. Brody , Lane P. Hughston

We study the generation of high harmonic radiation by Bloch electrons in a model transparent solid driven by a strong mid-infrared laser field. We solve the single-electron time-dependent Schr\"odinger equation (TDSE) using a velocity-gauge…

Atomic Physics · Physics 2015-05-20 Mengxi Wu , Shambhu Ghimire , David A. Reis , Kenneth J. Schafer , Mette B. Gaarde

We present an efficient and systematically convergent approach to all-electron real-time time-dependent density functional theory (TDDFT) calculations using a mixed basis, termed as enriched finite element (EFE) basis. The EFE basis…

Chemical Physics · Physics 2022-10-27 Bikash Kanungo , Nelson D. Rufus , Vikram Gavini

Phase shifts for single-channel elastic electron-atom scattering are derived from time-dependent density functional theory. The H$^-$ ion is placed in a spherical box, its discrete spectrum found, and phase shifts deduced. Exact-exchange…

Materials Science · Physics 2009-11-13 Meta van Faassen , Adam Wasserman , Eberhard Engel , Fan Zhang , Kieron Burke

We present a theoretical investigation of the dynamics of the dielectric constant of noble metals following heating with ultrashort pulsed laser beams and the influence of the temporal variation of the associated optical properties in the…

Materials Science · Physics 2018-12-11 George D. Tsibidis

We develop a field theory formalism for the disordered interacting electron liquid in the dynamical Keldysh formulation. This formalism is an alternative to the previously used replica technique. In addition it naturally allows for the…

Disordered Systems and Neural Networks · Physics 2009-10-31 Alex Kamenev , Anton Andreev

By means of molecular dynamics computer simulations we investigate the out of equilibrium relaxation dynamics of a simple glass former, a binary Lennard-Jones system, after a quench to low temperatures. We study both one time quantities and…

Disordered Systems and Neural Networks · Physics 2009-10-31 Walter Kob , Jean-Louis Barrat

Ultrafast laser induced thermionic emission from metal surfaces has several applications. Here, we investigate the role of laser polarization and angle of incidence on the ultrafast thermionic emission process from laser driven gold coated…

Inspired by the formulation of quantum-electrodynamical time-dependent density functional theory (QED-TDDFT) by Rubio and coworkers, we propose an implementation that uses dimensionless amplitudes for describing the photonic contributions…

Materials Science · Physics 2021-08-20 Junjie Yang , Qi Ou , Zheng Pei , Hua Wang , Binbin Weng , Kieran Mullen , Yihan Shao

The fractional Schr\"{o}dinger equation (FSE) -- a natural extension of the standard Schr\"{o}dinger equation -- is the basis of fractional quantum mechanics. It can be obtained by replacing the kinetic-energy operator with a fractional…

Optics · Physics 2023-01-18 Shilong Liu , Yingwen Zhang , Boris A. Malomed , Ebrahim Karimi

Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…

Chemical Physics · Physics 2018-10-03 Yasumitsu Suzuki , Satoshi Hagiwara , Kazuyuki Watanabe