Generalized Gradient Approximation Made Simple
Generalized gradient approximations (GGA's) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present...
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179 publications
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
Abstract A new density functional (DF) of the generalized gradient approximation (GGA) type for general chemistry applications termed B97‐D is proposed. It is based on Becke's p...
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
Generalized gradient approximations (GGA’s) seek to improve upon the accuracy of the local-spin-density (LSD) approximation in electronic-structure calculations. Perdew and Wang...
Millimeter Wave Mobile Communications for 5G Cellular: It Will Work!
The global bandwidth shortage facing wireless carriers has motivated the exploration of the underutilized millimeter wave (mm-wave) frequency spectrum for future broadband cellu...
Perfect Metamaterial Absorber
We present the design for an absorbing metamaterial (MM) with near unity absorbance A(omega). Our structure consists of two MM resonators that couple separately to electric and ...
Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids
The electron density, its gradient, and the Kohn-Sham orbital kinetic energy density are the local ingredients of a meta-generalized gradient approximation (meta-GGA). We constr...
The Measurement of Work Engagement With a Short Questionnaire
This article reports on the development of a short questionnaire to measure work engagement—a positive work-related state of fulfillment that is characterized by vigor, dedicati...
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
We construct a generalized gradient approximation (GGA) for the density ${\mathit{n}}_{\mathrm{xc}}$(r,r+u) at position r+u of the exchange-correlation hole surrounding an elect...
Bounding the role of black carbon in the climate system: A scientific assessment
Abstract Black carbon aerosol plays a unique and important role in Earth's climate system. Black carbon is a type of carbonaceous material with a unique combination of physical ...
Peginterferon alfa-2b plus ribavirin compared with interferon alfa-2b plus ribavirin for initial treatment of chronic hepatitis C: a randomised trial
A sustained virological response (SVR) rate of 41% has been achieved with interferon alfa-2b plus ribavirin therapy of chronic hepatitis C. In this randomised trial, peginterfer...
Scaling Theory of Localization: Absence of Quantum Diffusion in Two Dimensions
Arguments are presented that the $T=0$ conductance $G$ of a disordered electronic system depends on its length scale $L$ in a universal manner. Asymptotic forms are obtained for...