DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

AM Teale, T Helgaker, A Savin, C Adamo… - Physical chemistry …, 2022 - pubs.rsc.org
In this paper, the history, present status, and future of density-functional theory (DFT) is
informally reviewed and discussed by 70 workers in the field, including molecular scientists …

Calculation of dispersion energies

JF Dobson, T Gould - Journal of Physics: Condensed Matter, 2012 - iopscience.iop.org
We summarize the theory of van der Waals (dispersion) forces, with emphasis on recent
microscopic approaches that permit the prediction of forces between solids and …

Random-phase approximation and its applications in computational chemistry and materials science

X Ren, P Rinke, C Joas, M Scheffler - Journal of Materials Science, 2012 - Springer
The random-phase approximation (RPA) as an approach for computing the electronic
correlation energy is reviewed. After a brief account of its basic concept and historical …

Bulk and shear viscosities of the two-dimensional electron liquid in a doped graphene sheet

A Principi, G Vignale, M Carrega, M Polini - Physical Review B, 2016 - APS
Hydrodynamic flow occurs in an electron liquid when the mean free path for electron-
electron collisions is the shortest length scale in the problem. In this regime, transport is …

Non-adiabatic approximations in time-dependent density functional theory: progress and prospects

L Lacombe, NT Maitra - npj Computational Materials, 2023 - nature.com
Time-dependent density functional theory continues to draw a large number of users in a
wide range of fields exploring myriad applications involving electronic spectra and …

Hydrodynamic theory for quantum plasmonics: Linear-response dynamics of the inhomogeneous electron gas

W Yan - Physical Review B, 2015 - APS
We investigate the hydrodynamic theory of metals, offering systematic studies of the linear-
response dynamics for an inhomogeneous electron gas. We include the quantum functional …

Current-dependent potential for nonlocal absorption in quantum hydrodynamic theory

C Ciracì - Physical Review B, 2017 - APS
The quantum hydrodynamic theory is a promising method for describing microscopic details
of macroscopic systems. The hydrodynamic equation can be partially obtained from a single …

Bonding in molecular crystals from the local electronic pressure viewpoint

VG Tsirelson, AI Stash, IV Tokatly - Molecular Physics, 2016 - Taylor & Francis
The spatial distribution of the internal pressure of an electron fluid, which spontaneously
arises at the formation of a molecule or a crystal, is linked to the main features of chemical …

Continuum mechanics for quantum many-body systems: Linear response regime

X Gao, J Tao, G Vignale, IV Tokatly - Physical Review B—Condensed Matter …, 2010 - APS
We derive a closed equation of motion for the current density of an inhomogeneous
quantum many-body system under the assumption that the time-dependent wave function …

Breathing mode of a Bose-Einstein condensate immersed in a Fermi sea

PT Grochowski, T Karpiuk, M Brewczyk, K Rzążewski - Physical Review Letters, 2020 - APS
By analyzing the breathing mode of a Bose-Einstein condensate repulsively interacting with
a polarized fermionic cloud, we further the understanding of a Bose-Fermi mixture recently …