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We present a numerical method for the accurate and efficient simulation of strongly localized light sources, such as quantum dots, embedded in dielectric micro-optical structures. We apply the method in order to optimize the photon…

In this work the multistream quasiparticle model of collective electron excitations is used to study the energy-density distribution of collective quantum excitations in an interacting electron gas with arbitrary degree of degeneracy.…

Mesoscale and Nanoscale Physics · Physics 2024-03-05 M. Akbari-Moghanjoughi

In conventional quantum optimal control theory, the parameters that determine an external field are optimised to maximise some predefined function of the trajectory, or of the final state, of a matter system. The situation changes in the…

Optics · Physics 2019-10-23 Alberto Castro , Heiko Appel , Angel Rubio

The interplay of quantum fluctuations with nonlinear dynamics is a central topic in the study of open quantum systems, connected to fundamental issues (such as decoherence and the quantum-classical transition) and practical applications…

Quantum Physics · Physics 2009-11-13 Michael A. Armen , Hideo Mabuchi

We introduced a new electron density n({\epsilon}) by projecting the spatial electron density n(r) onto the energy coordinate {\epsilon} defined with the external potential \upsion (r) of interest. Then, a density functional theory (DFT)…

Chemical Physics · Physics 2018-02-20 Hideaki Takahashi

To explore the applicability of orbital-free density functional theory (OF-DFT) in nuclear physics, we perform a systematic benchmark of 36 one-point kinetic energy density functionals, which are originally developed for electron systems in…

Nuclear Theory · Physics 2026-05-20 Tian Shuai Shang , Jian Li , Haozhao Liang , Xinhui Wu , Cheng Ma , Wenhui Mi , Xuecheng Shao , Yanchao Wang

In this paper, we study the dynamics of the interaction of a three-photon state and a quantum dot embedded in a semiconductor cavity. In the first place, we consider an ideal cavity in which the effects due to the environment are neglected.…

We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…

Quantum Physics · Physics 2007-05-23 Xiao Zheng , Fan Wang , GuanHua Chen

This chapter provides a basic introduction to excited-state extensions of density functional theory (DFT), including time-dependent (TD-)DFT in both its linear-response and its explicitly time-dependent formulations. As applied to the…

Chemical Physics · Physics 2023-05-02 John M. Herbert

Molecular absorption and photo-electron spectra can be efficiently predicted with real-time time-dependent density-functional theory (TDDFT). We show here how these techniques can be easily extended to study time-resolved pump-probe…

Atomic and Molecular Clusters · Physics 2013-01-10 Umberto De Giovannini , Gustavo Brunetto , Alberto Castro , Jessica Walkenhorst , Angel Rubio

The treatment of degenerate states within Kohn-Sham density functional theory (KS-DFT) is a problem of longstanding interest. We propose a solution to this mapping from the interacting degenerate system to that of the noninteracting fermion…

Materials Science · Physics 2009-11-07 Viraht Sahni , Xiao-Yin Pan

We develop methods to find the limits to finite-time single photon extraction from emitter-cavity systems. We first establish analytic upper and lower bounds on the maximum extraction probability from a canonical $\Lambda$-system before…

Quantum Physics · Physics 2024-06-17 William J. Hughes , Joseph F. Goodwin , Peter Horak

Despite of its huge successes in vast amount of applications, the Kohn-Sham scheme of density functional theory (DFT-Kohn-Sham) has not been able to get reliable ionization potentials (IP) for semiconductors, due to self-interaction error…

Materials Science · Physics 2016-04-07 Lin-Hui Ye

Density functional theory has been an essential analysis tool for both theoretical and experimental chemists since accurate hybrid functionals were developed. Here we propose a local hybrid method derived from the optimized effective…

Chemical Physics · Physics 2017-03-24 Jaewook Kim , Kwangwoo Hong , Sang-Yeon Hwang , Seongok Ryu , Sunghwan Choi , Woo Youn Kim

Time-dependent density functional theory (TDDFT) is a standard approach for calculating optical excitations of molecules and solids, while ensemble DFT (EDFT) is a promising alternative under development. We introduce ensemble TDDFT…

Chemical Physics · Physics 2026-05-22 Kimberly J. Daas , Steven Crisostomo , Kieron Burke

In this paper we consider the {\it Density Functional Theory} (DFT) framework, where a functional of the form $$F_\eps(\rho)=\eps T(\rho)+bC(\rho)-U(\rho)$$ has to be minimized in the class of non-negative measures $\rho$ which have a…

Mathematical Physics · Physics 2025-07-02 Guy Bouchitté , Giuseppe Buttazzo , Thierry Champion , Luigi De Pascale

A partial differential eigenvalue equation for the density displacement fields associated with electronic excitations is derived in the framework of density functional theory. Our quantum fluid-dynamical approach is based on a variational…

Atomic and Molecular Clusters · Physics 2009-11-07 S. Kümmel , M. Brack

Time-Dependent Density Functional Theory (TDDFT) has recently been extended to describe many-body open quantum systems (OQS) evolving under non-unitary dynamics according to a quantum master equation. In the master equation approach,…

Chemical Physics · Physics 2015-05-18 David G. Tempel , Mark A. Watson , Roberto Olivares-Amaya , Alán Aspuru-Guzik

We develop an energy-space density matrix framework to investigate the interaction of extremely short optical pulses (ESPs) with transparent conducting oxides (TCOs). This approach captures not only electron populations, material…

Optics · Physics 2026-02-27 Ieng-Wai Un , Subhajit Sarkar , Yonatan Sivan

Orbital-optimized density functional theory (DFT) has emerged as an alternative to time-dependent (TD) DFT capable of describing difficult excited states with significant electron density redistribution, such as charge-transfer, Rydberg,…

Chemical Physics · Physics 2025-01-22 Hanh D. M. Pham , Rustam Z. Khaliullin