Project reference: 2014 The deMon2k (density of Montréal) [1] is a software package for density functional theory (DFT) calculations. It uses the linear combination of Gaussian-type orbital (LCGTO) approach for the self-consistent solution of the Kohn-Sham (KS) DFT equations.  RT-TDDFT …

Matrix exponentiation on GPU for the deMon2k code Read More »

Tagged with: , ,
Follow by Email27