Abinitio Calculation Of Static Atomic Dipole Polarizabilities

The simultaneous optimization of the bound and continuum multiconfiguration Hartree-Fock orbitals for an electron scattered by an atom leads to a set of bound orbitals for the target atom that completely takes into account the polarization of the target by the electron. The polarized orbitals that are generated for zero kinetic energy and angular momentum of the continuum electron form an excellent basis for the calculation of the static dipole polarizability. We have done this for the ground states of the inert-gas atoms helium, neon, and argon. Our results agree extremely well with experimental measurements, indicating that this ab initio approach provides very good wave functions with which to determine highly accurate values of the polarizability