output
19952025
most citedReduced Density Matrix Functional for Many-Electron Systems

178 citations

Showing 2014Show all

7 papers · 1 filter

cond-mat.mtrl-sci2014★ 61 cited

Hydrogen sensing by sol-gel grown NiO and NiO:Li thin films

I. Sta, M. Jlassi, M. Kandyla +5

Hydrogen sensors have been prepared using nickel oxide (NiO) and lithium-doped nickel oxide (NiO:Li) thin films, deposited on glass substrates by the sol-gel spin coating technique…

physics.atom-ph2014★ 8 cited

Theory and computation of electromagnetic transition matrix elements in the continuous spectrum of atoms

Yannis Komninos, Theodoros Mercouris, Cleanthes A. Nicolaides

The present study examines the mathematical properties of the free-free ( f-f) matrix elements of the full electric field operator, of the multipolar Hamiltonian. Special methods a…

cond-mat.mtrl-sci2014★ 8 cited

Scalable fabrication of nanostructured p-Si/n-ZnO heterojunctions by femtosecond-laser processing

D. G. Georgiadou, M. Ulmeanu, M. Kompitsas +2

We present a versatile, large-scale fabrication method for nanostructured semiconducting junctions. Silicon substrates were processed by femtosecond laser pulses in methanol and a…

cond-mat.mtrl-sci2014★ 6 cited

Molecular Dependence of the Large Seebeck Effect in τ-type Organic Conductors

Hirohito Aizawa, Kazuhiko Kuroki, Harukazu Yoshino +3

We study the Seebeck effect in the -type organic conductors, -(EDO-,-DMEDT-TTF)(AuBr) and -(P-,-DMEDT-TTF)(AuBr), where…

physics.chem-ph2014★ 17 cited

Quasi-particle energy spectra in local reduced density matrix functional theory

Nektarios N. Lathiotakis, Nicole Helbig, Angel Rubio +1

Recently, we introduced (e-print arXiv:1407.7128) {\em local reduced density matrix functional theory} (local RDMFT), a theoretical scheme capable of incorporating static correlati…

physics.chem-ph2014★ 39 cited

Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations

Nektarios N. Lathiotakis, Nicole Helbig, Angel Rubio +1

We propose a novel scheme to bring reduced density matrix functional theory (RDMFT) into the realm of density functional theory (DFT) that preserves the accurate density functional…