Chemical trends in the optical properties of rocksalt nanoparticles

Electronic structure and phase stability of oxide semiconductors: Performance of dielectric-dependent hybrid functional DFT, benchmarked againstGWband structure calculations and experiments

(2015) Matteo Gerosa et al.   PHYSICAL REVIEW B

Simple screened exact-exchange approach for excitonic properties in solids

(2015) Zeng-hui Yang et al.   PHYSICAL REVIEW B

Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT

(2014) Enrico Berardo et al.   Journal of Chemical Theory and Computation

Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description

(2014) Enrico Berardo et al.   Journal of Chemical Theory and Computation

Optical excitation of MgO nanoparticles; a computational perspective

(2014) Milena C. C. Wobbe et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Overcoming Low Orbital Overlap and Triplet Instability Problems in TDDFT

(2012) Michael J. G. Peach et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Exciton Formation at Solid–Solid Interfaces: A Systematic Experimental and ab Initio Study on Compressed MgO Nanopowders

(2012) Andreas Sternig et al.   Journal of Physical Chemistry C

Surface exciton separation in photoexcited MgO nanocube powders

(2012) Andreas Sternig et al.   Nanoscale

Optical Properties of Nanocrystal Interfaces in Compressed MgO Nanopowders

(2011) Keith P. McKenna et al.   ACS Nano

Determination of the band-gap of MgS and MgS-rich Zn1−xMgxSySe1−y alloys from optical transmission measurements

(2010) Ian A. Davidson et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Defect levels through hybrid density functionals: Insights and applications

(2010) Audrius Alkauskas et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

TDDFT diagnostic testing and functional assessment for triazene chromophores

(2009) Michael J. G. Peach et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photoluminescent Nanoparticle Surfaces: The Potential of Alkaline Earth Oxides for Optical Applications

(2008) Andreas Sternig et al.   ADVANCED MATERIALS

Determination of Band Structure Parameters and the Quasi-Particle Gap of CdSe Quantum Dots by Cyclic Voltammetry

(2008) Shaukatali N. Inamdar et al.   CHEMPHYSCHEM

Excitation energies in density functional theory: An evaluation and a diagnostic test

(2008) Michael J. G. Peach et al.   JOURNAL OF CHEMICAL PHYSICS

Surface Effects and Quantum Confinement in Nanosized GaN Clusters: Theoretical Predictions

(2008) Barbara Brena et al.   Journal of Physical Chemistry C