A c++ program for high-precision atomic structure calculations of one and two valence systems. Uses Hartree-Fock + correlation potential method. Can calculate ionisation cross sections with large of energy/momentum transfer.
Matrix elements, frequency dependent, omega = each
Fails to work properly with omega=each for E2, though it works if i manually set omega = each.
The operator seems to work, but not the RPA part.
Matrix elements, frequency dependent, omega = each Fails to work properly with omega=each for E2, though it works if i manually set omega = each. The operator seems to work, but not the RPA part.
For Cs, 6s+ - 6p-, HF+RPA: Module::matrixElements { // omega = 0.0417522; omega = each; operator = E1; options = [gauge = vform;]; rpa_diagram = true; }