papers
Publications (3)
physics.comp-ph2005
Analytical Hartree-Fock gradients with respect to the cell parameter: systems periodic in one and two dimensions
K. Doll, R. Dovesi, R. Orlando
cond-mat.mtrl-sci2016
Raman spectroscopic features of the neutral vacancy in diamond from ab initio quantum-mechanical calculations
J. Baima, A. Zelferino, P. Olivero +2
cond-mat.mtrl-sci2004
Analytical Hartree-Fock gradients with respect to the cell parameter for systems periodic in three dimensions
K. Doll, R. Dovesi, R. Orlando