Calculation of the incremental stress-strain relation of a polygonal packing

Calculation of the optical response of C60 and Na8 using time-dependent density functional theory and local orbitals

Calculation of the orthorhombic E-parameter in EPR for d3 spin systems

Calculation of the P-T phase diagram and tendency toward decomposition in equiatomic TiZr alloy

Calculation of the Raman G peak intensity in monolayer graphene: role of Ward identities

Calculation of the substitutional fraction of ion-implanted He in an Fe target

Calculation of the work function with a local basis set

Calculation of the zero-field splitting D and g(perp)parameters in EPR for d3 spin systems in strong and moderate axial fields

Calculation of thermal expansion coefficient of Fe/sub 3/Al with the addition of transition metal elements

Calculation of valence electron momentum densities using the projector augmented-wave method

Calculations of giant magnetoresistance in Fe/Cr trilayers using layer potentials determined from {\it ab-initio} methods

Calculations of spin induced transport in ferromagnets

Calculations of spin-disorder resistivity from first principles

Calculations of the A_1 phonon frequency in photoexcited Tellurium

Calculations of the thermodynamic and kinetic properties of LiV3O8

Calculations on Electronic States in QDs woth Saturated Shapes

Calculations on millions of atoms with DFT: Linear scaling shows its potential

Calculations on the Size Effects of Raman Intensities of Silicon Quantum Dots

Calibration of shielded microwave probes using bulk dielectrics

Can a half-metallic zincblende-type structure be stabilized via epitaxy?