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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

We theoretically investigate the dynamical Franz-Keldysh effect in femtosecond time resolution, that is, the time-dependent modulation of a dielectric function at around the band gap under an irradiation of an intense laser field. We…

Materials Science · Physics 2016-01-27 T. Otobe , Y. Shinohara , S. A. Sato , K. Yabana

Transient absorption microscopy measures excited-state kinetics based on the imaginary part of the pump-induced perturbation to the complex refractive index, i.e. $\Im \{\Delta\mathcal N\}$, with applications in both materials and…

Optics · Physics 2026-03-17 Cameron N. Coleal , Randy A. Bartels , Jesse W. Wilson

The dynamics of a many-body system coupled to an external environment represents a fundamentally important problem. To this class of open quantum systems pertains the study of energy transport and dissipation, dephasing, quantum measurement…

Strongly Correlated Electrons · Physics 2009-11-13 R. D'Agosta , M. Di Ventra

Time-dependent density-functional theory (TDDFT) is a computationally efficient first-principles approach for calculating optical spectra in insulators and semiconductors, including excitonic effects. We show how exciton wave functions can…

Materials Science · Physics 2020-12-29 Jared R. Williams , Nicolas Tancogne-Dejean , Carsten A. Ullrich

An approximate solution to the time-dependent density functional theory (TDDFT) response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition…

Materials Science · Physics 2009-11-07 H. Appel , E. K. U. Gross , K. Burke

An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Y. Wang , C. -Y. Yam , G. H. Chen , Th. Frauenheim , T. A. Niehaus

A novel technique for measuring plasma conditions using monochromatic pump-broadband probe laser interactions has been experimentally demonstrated. Originally proposed in [J. Ludwig et al., Phys. Plasmas \textbf{26}, 113108 (2019)], this…

Adiabatic approximations in time-dependent density functional theory (TDDFT) will in general yield unphysical time-dependent shifts in the resonance positions of a system driven far from its ground-state. This spurious time-dependence is…

Chemical Physics · Physics 2016-08-24 Kai Luo , Johanna I. Fuks , Neepa T. Maitra

A pulse of matter waves may dramatically change its shape when traversing an absorbing barrier with time-dependent transparency. Here we show that this effect can be utilized for controlled manipulation of spatially-localized quantum…

Quantum Physics · Physics 2015-05-04 Arseni Goussev

We discuss two problems which are particularly challenging for approximations in time-dependent density functional theory (TDDFT) to capture: momentum-distributions in ionization processes, and memory-dependence in real-time dynamics. We…

Materials Science · Physics 2010-03-22 Arun K. Rajam , Paul Hessler , Christian Gaun , Neepa T. Maitra

We present a range-separated linear-response time-dependent density-functional theory (TDDFT) which combines a density-functional approximation for the short-range response kernel and a frequency-dependent second-order Bethe-Salpeter…

Chemical Physics · Physics 2016-03-23 Elisa Rebolini , Julien Toulouse

Based on the work done by an electromagnetic field on an atomic or molecular electronic system, a general gauge invariant formulation of transient absorption spectroscopy is presented within the semi-classical approximation. Avoiding…

Nonlinear spectroscopy employs a series of laser pulses to interrogate dynamics in large interacting many-body systems, and has become a highly successful method for experiments in chemical physics. Current quantum optical experiments…

Quantum Physics · Physics 2016-10-19 Frank Schlawin , Manuel Gessner , Shaul Mukamel , Andreas Buchleitner

In the laser processing of glass, a ~50-1000 $\mu$m-thick layer of glass is heated to a high temperature by the laser beam. Due to the shallow depth of this hot layer, the infrared emission and absorption spectra may deviate from the…

Materials Science · Physics 2025-01-15 Grigory Kolesov

Recent progress has been made in capturing spectral features of electronic states of double-excitation character in time-dependent density functional theory (TDDFT) through a frequency-dependent kernel. While it might appear that this…

Chemical Physics · Physics 2026-05-04 Dhyey Ray , Anna Baranova , Davood B. Dar , Neepa T. Maitra

In principle, we should not need the time-dependent extension of density-functional theory (TDDFT) for excitations, and in particular not for Molecular Dynamics (MD) studies: the theorem by Hohenberg and Kohn teaches us that for any…

Strongly Correlated Electrons · Physics 2015-05-27 J. L. Alonso , Alberto Castro , Pablo Echenique , Angel Rubio

Diffuse optical tomography (DOT) use near-infrared light for imaging optical properties of biological tissues. Time-domain DOT systems use pulsed lasers and measure time-varying temporal point spread function (TPSF), carrying information…

Optics · Physics 2023-01-10 Meghdoot Mozumder , Jarkko Leskinen , Tanja Tarvainen

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

Despite the variety of available computational approaches, state-of-the-art methods for calculating excitation energies such as time-dependent density functional theory (TDDFT), are computationally demanding and thus limited to moderate…

Chemical Physics · Physics 2022-03-10 Martina Stella , Kritam Thapa , Luigi Genovese , Laura E. Ratcliff
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