output
20022024
most citedAssessing the Performance of Recent Density Functionals for Bulk Solids

1k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2014 · cond-mat.mtrl-sciShow all

2 papers · 2 filters

cond-mat.mtrl-sci2014★ 14 cited

Structural, elastic, optical properties and quasiparticle band structure of solid cyanuric triazide

S. Appalakondaiah, G. Vaitheeswaran, S. Lebègue

In this letter, we report the structural, elastic, and quasiparticle band structure of cynauric triazide. The structural properties using a dispersion corrected method to treat van…

cond-mat.mtrl-sci2014★ 44 cited

Structural, vibrational, and quasiparticle band structure of 1, 1 - diamino-2, 2 - dinitroethelene from ab-initio calculations

S. Appalakondaiah, G. Vaitheeswaran, S. Lebègue

The effect of pressure on the structural and vibrational properties of the layered molecular crystal 1,1-diamino-2,2-dinitroethelene (FOX-7) are explored by first principles calcul…