Acta Crystallographica · 1964 · 461 citations · 0 references
Natural SciencesChemistryPhysicsAtomic PhysicsComputational ChemistryQuantum ChemistryAb Initio MethodsDensity Functional TheoryHartree-fock TheoryScattering ParametersScattering TheoryStructure DeterminationAtomic Hartree-fockAtomic ScatteringHartree-fock ApproximationHartree-fock Model
Atomic scattering factors calculated from carefully computed Hartree-Fock-Slater wave functions are presented for the neutral elements from Z = 2 to Z = 100 over a range of sin 0/~ values up to 6.0. Because of the nature of the wave functions used and because of the range and density of the parameters for which the calculations have been made, this compilation should represent the most complete and most accurate f values available.