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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

A distant-neighbor quantum-mechanical method is used to study the nonlinear optical wave mixing in graphene nanoflakes (GNFs), including sum- and difference-frequency generation, as well as four-wave mixing. Our analysis shows that…

Optics · Physics 2022-03-11 Hanying Deng , Changming Huang , Yingji He , Fangwei Ye

We propose a distant-neighbor quantum-mechanical (DNQM) approach to study the linear and nonlinear optical properties of graphene nanoflakes (GNFs). In contrast to the widely used tight-binding description of the electronic states that…

Mesoscale and Nanoscale Physics · Physics 2018-02-08 Hanying Deng , David Zs. Manrique , Xianfeng Chen , Nicolae C. Panoiu , Fangwei Ye

Understanding strongly correlated systems is essential for advancing quantum chemistry and materials science, yet conventional methods like Density Functional Theory (DFT) often fail to capture their complex electronic behavior. To address…

Chemical Physics · Physics 2025-09-01 Archith Rayabharam , N. R. Aluru

Routine investigations of plasmonic phenomena at the quantum level present a formidable computational challenge due to the large system sizes and ultrafast timescales involved. This Feature Article highlights the use of density functional…

Mesoscale and Nanoscale Physics · Physics 2025-06-19 Nikhil S. Chellam , Subhajyoti Chaudhuri , Abhisek Ghosal , Sajal K. Giri , George C. Schatz

In this paper, we study the feasibility of conducting quantum key distribution (QKD) together with classical communication through the same optical fiber by employing dense-wavelength-division-multiplexing (DWDM) technology at telecom…

Quantum Physics · Physics 2015-05-19 Bing Qi , Wen Zhu , Li Qian , Hoi-Kwong Lo

We present full quantum mechanical calculations of the hybridized plasmon modes of two nanowires at small separation, providing real space visualization of the modes in the transition from the classical to the quantum tunneling regime. The…

Mesoscale and Nanoscale Physics · Physics 2013-06-27 Kirsten Andersen , Kristian L. Jensen , N. Asger Mortensen , Kristian S. Thygesen

We study the quantum dynamics of two quantum dots (QDs) or artificial atoms coupled through the fundamental localized plasmon of a gold nanorod resonator. We derive an intuitive and efficient time-local master equation, in which the effect…

Mesoscale and Nanoscale Physics · Physics 2015-11-20 Rong-Chun Ge , Stephen Hughes

The real-time-propagation formulation of time-dependent density-functional theory (RT-TDDFT) is an efficient method for modeling the optical response of molecules and nanoparticles. Compared to the widely adopted linear-response TDDFT…

Materials Science · Physics 2019-01-15 Tuomas P. Rossi , Mikael Kuisma , Martti J. Puska , Risto M. Nieminen , Paul Erhart

Plasmonic nanocavities are a promising platform for strong light-matter coupling and enhanced spectroscopies at the single-molecule level. These nanoscale environments are challenging to model due to their strongly multimodal character and…

Chemical Physics · Physics 2026-03-16 Jonathan H. Fetherolf , Tao E. Li , Sharon Hammes-Schiffer

An atomic-orbital basis set framework is presented for carrying out velocity- gauge real-time time-dependent density functional theory (TDDFT) simulations in periodic systems employing range-separated hybrid functionals. Linear optical…

Materials Science · Physics 2018-10-02 C. D. Pemmaraju

Multiscale plasmonic systems e.g. extended metallic nanostructures with sub-nanometer inter-distances) play a key role in the development of next-generation nano-photonic devices. An accurate modeling of the optical interactions in these…

Mesoscale and Nanoscale Physics · Physics 2016-05-11 Cristian Ciracì , Fabio Della Sala

We propose a model based on density functional theory (DFT) and quantum electrodynamics (QED) to study the dynamical characteristics of graphene quantum dots (GQDs). We assume the GQD edges are saturated with hydrogen atoms, effectively…

Mesoscale and Nanoscale Physics · Physics 2026-04-09 J. Olivo , J. Blengino Albrieu , Mauro Cuevas

Quantum plasmonics explores how light interacts with collective charge oscillations at metal-dielectric interfaces, enabling strong confinement and enhanced quantum effects at the nanoscale. While traditional quantum optics focuses on…

Quantum Physics · Physics 2025-04-03 Mingyuan Hong

The optical response of an artificial hybrid molecule system composed of two metallic nanoparticles (MNPs) and a semiconductor quantum dot (SQD) is investigated theoretically due to the plasmon-exciton-plasmon coupling effects on the…

We study theoretically the dipole-dipole interaction and energy transfer in a hybrid system consisting of a quantum dot and graphene nanodisk embedded in a nonlinear photonic crystal. In our model a probe laser field is applied to measure…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Joel D. Cox , Mahi R. Singh , Godfrey Gumbs , Miguel. A. Antón , Fernando Carreño

Transport properties of a single plasmon interacting with a hybrid system composed of a semiconductor quantum dot (SQD) and a metal nanoparticle (MNP) coupled to one-dimensional surface plasmonic waveguide are investigated theoretically via…

Mesoscale and Nanoscale Physics · Physics 2016-11-23 Nam-Chol Kim , Myong-Chol Ko , Zhong-Hua Hao , Li Zhou , Jian-Bo Li , Qu-Quan Wang

The interaction within a hybrid system consisting of a spherical metal nanoparticle and a nearby organic dye molecule is formulated in a combined quantum-classical approach. Whereas the nanoparticle's polarization field is treated in…

Chemical Physics · Physics 2019-09-04 Xiaomeng Liu , Lennart Seiffert , Thomas Fennel , Oliver Kühn

Serving as a new two-dimensional plasmonic material, graphene has stimulated an intensive study of its optical properties which benefit from the unique electronic band structure of the underlying honeycomb lattice of carbon atoms. In…

Mesoscale and Nanoscale Physics · Physics 2015-03-18 Weihua Wang , Thomas Christensen , Antti-Pekka Jauho , Kristian S. Thygesen , Martijn Wubs , N. Asger Mortensen

We investigate theoretically the entanglement of two quantum dots (QDs) coupled to metallic nanowaveguide in the presence of the flip-flop interaction with the analytical solutions of eigenvalue equations of the coupled system. High…

Optics · Physics 2019-10-23 Myong-Chol Ko , Nam-Chol Kim , Nam-Chol Ho , Jian-Bo Li
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