Searched defs:Hartree (Results 1 – 10 of 10) sorted by relevance
25 CubicSplineCommon Hartree; variable
53 Hartree = Me * EV / 16 / pi**2 / Epsilon0**2 / Hbar**2 # Hartree [eV] 27.211398 variable
9 Hartree = ase.units.Hartree variable
602 Eigen::MatrixXd Hartree = both_alpha[0] + both_beta[0]; in RunAtomicDFT_unrestricted() local611 Eigen::MatrixXd Hartree = ERIs_atom.CalculateERIs_4c( in RunAtomicDFT_unrestricted() local
1289 double const Hartree = 27.2; // ev in ReinterpolateAndMix() local