Variational pseudo-self-interaction-corrected density functional approach to theab initiodescription of correlated solids and molecules

Electronic structure of TiO2 rutile with oxygen vacancies: Ab initio simulations and comparison with the experiment

(2011) T. V. Perevalov et al.   JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS

Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advancedab initiomethods

(2011) T. Archer et al.   PHYSICAL REVIEW B

Spontaneous 2-Dimensional Carrier Confinement at then-TypeSrTiO3/LaAlO3Interface

(2011) Pietro Delugas et al.   PHYSICAL REVIEW LETTERS

Electric Field Control of Valence Tautomeric Interconversion in Cobalt Dioxolene

(2011) A. Droghetti et al.   PHYSICAL REVIEW LETTERS

Ab initiostudy of electron transport in dry poly(G)-poly(C)A-DNA strands

(2010) C. D. Pemmaraju et al.   PHYSICAL REVIEW B

Finite-bias electronic transport of molecules in a water solution

(2010) I. Rungger et al.   PHYSICAL REVIEW B

A practical first-principles band-theory approach to the study of correlated materials

(2009) A. Filippetti et al.   EUROPEAN PHYSICAL JOURNAL B

Engineering Multiferroism inCaMnO3

(2009) Satadeep Bhattacharjee et al.   PHYSICAL REVIEW LETTERS

Self-interaction correction with Wannier functions

(2008) Massimiliano Stengel et al.   PHYSICAL REVIEW B

Effects of self-interaction corrections on the transport properties of phenyl-based molecular junctions

(2008) C. Toher et al.   PHYSICAL REVIEW B

Polarizability of molecular chains: A self-interaction correction approach

(2008) C. D. Pemmaraju et al.   PHYSICAL REVIEW B

Origin of Metallic States at the Heterointerface between the Band InsulatorsLaAlO3andSrTiO3

(2008) K. Yoshimatsu et al.   PHYSICAL REVIEW LETTERS