1.3k citations · 1.3k across the 1 of their papers we have counts for
4 papers · 1 filter
A Priori Approach to Calculation of Energies of Solvation
Sohrab Ismail-Beigi, T. A. Arias, Phillip Marrone +2
We propose a systematic, {\em a priori} approach to the problem of the calculation of solvation energies using continuum dielectric models coupled to quantum mechanical description…
New physics of grain boundaries in bcc metals from the atomic level: molybdenum as a case study
D. Yesilleten, T. A. Arias
We present a systematic trend study of the symmetric tilt grain boundaries about the <110> axis in molybdenum. Our results show that multiple structural phases, some incorporating…
Beyond Wavelets: Exactness theorems and algorithms for physical calculations
T. A. Arias, T. D. Engeness
This paper develops the use of wavelets as a basis set for the solution of physical problems exhibiting behavior over wide-ranges in length scale. In a simple diagrammatic language…
On the Locality of Physics in Metals, Semiconductors, and Insulators
Sohrab Ismail-Beigi, Tomas Arias
We present an analytical study of the spatial decay rate of the one-particle density matrix for systems described by single part…