Orbital-free density functional theory: An attractive electronic structure method for large-scale first-principles simulations

W Mi, K Luo, SB Trickey, M Pavanello - Chemical Reviews, 2023 - ACS Publications
Kohn–Sham Density Functional Theory (KSDFT) is the most widely used electronic structure
method in chemistry, physics, and materials science, with thousands of calculations cited …

Nonlinear optics in plasmonic nanostructures

NC Panoiu, WEI Sha, DY Lei, GC Li - Journal of Optics, 2018 - iopscience.iop.org
Although a relatively new area of nanoscience, nonlinear plasmonics has become a fertile
ground for the development and testing of new ideas pertaining to light–matter interaction …

Mesoscopic electrodynamics at metal surfaces: —From quantum-corrected hydrodynamics to microscopic surface-response formalism

NA Mortensen - Nanophotonics, 2021 - degruyter.com
Plasmonic phenomena in metals are commonly explored within the framework of classical
electrodynamics and semiclassical models for the interactions of light with free-electron …

Impact of Surface Enhanced Raman Spectroscopy in Catalysis

A Stefancu, J Aizpurua, I Alessandri, I Bald… - ACS …, 2024 - ACS Publications
Catalysis stands as an indispensable cornerstone of modern society, underpinning the
production of over 80% of manufactured goods and driving over 90% of industrial chemical …

[HTML][HTML] Theoretical foundations of quantum hydrodynamics for plasmas

ZA Moldabekov, M Bonitz, TS Ramazanov - Physics of Plasmas, 2018 - pubs.aip.org
Quantum hydrodynamics (QHD) theory for finite temperature plasmas is consistently derived
in the framework of the local density approximation of the free energy with first order density …

Finite-size and quantum effects in plasmonics: manifestations and theoretical modelling

PE Stamatopoulou, C Tserkezis - Optical Materials Express, 2022 - opg.optica.org
The tremendous growth of the field of plasmonics in the past twenty years owes much to the
pre-existence of solid theoretical foundations. Rather than calling for the introduction of …

[HTML][HTML] Quantum hydrodynamics for plasmas—Quo vadis?

M Bonitz, ZA Moldabekov, TS Ramazanov - Physics of Plasmas, 2019 - pubs.aip.org
Quantum plasmas are an important topic in astrophysics and high pressure laboratory
physics for more than 50 years. In addition, many condensed matter systems, including the …

Multiscale modelling of photoinduced processes in composite systems

B Mennucci, S Corni - Nature Reviews Chemistry, 2019 - nature.com
In the past few decades, quantum mechanical (QM) modelling has moved from isolated
molecules made of few atoms to large supramolecular aggregates embedded in complex …

Kohn–Sham decomposition in real-time time-dependent density-functional theory: An efficient tool for analyzing plasmonic excitations

TP Rossi, M Kuisma, MJ Puska… - Journal of Chemical …, 2017 - ACS Publications
Electronic excitations can be efficiently analyzed in terms of the underlying Kohn–Sham (KS)
electron–hole transitions. While such a decomposition is readily available in the linear …

Free‐electron optical nonlinearities in plasmonic nanostructures: a review of the hydrodynamic description

AV Krasavin, P Ginzburg… - Laser & Photonics …, 2018 - Wiley Online Library
Requirements of integrated photonics and miniaturisation of optical devices demand
efficient nonlinear components not constrained by conventional macroscopic nonlinear …