31 citations · 31 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2001★ 31 cited
Evaluation of Exchange-Correlation Energy, Potential, and Stress
L. C. Balbas, Jose Luis Martins, Jose M. Soler
We describe a method for calculating the exchange and correlation (XC) contributions to the total energy, effective potential, and stress tensor in the generalized gradient approxi…
cond-mat1997
Metric tensor as the dynamical variable for variable cell-shape molecular dynamics
Ivo Souza, Jose Luis Martins
We propose a new variable cell-shape molecular dynamics algorithm where the dynamical variables associated with the cell are the six independent dot products between the vectors de…