Analytic Calculation of Momentum Distribution and Compton Profiles of Atoms Using Hartree-Fock-Roothaan Method: Applications to Atoms 2 <= Z <= 10
Özet
An analytical formula have been presented for momentum density and Compton profiles of atoms using Hartree-Fock-Roothaan method. The obtained formula includes the linear combination coefficients of molecular orbitals, auxiliary functions B-mn(l)(alpha,beta;q) and K-n(l)(alpha,q), and Gaunt coefficients. Computer programs have been constructed for atomic Compton profiles and including functions. Utilizing these programs, Compton profiles of atoms 2 <= Z <= 10 have been calculated for a wide range of incident photon energy. It is seen that the obtained results for Compton profiles of these atoms are in good agreement with the more recent theoretical and experimental works.
