DYNAMIC DIPOLE POLARIZABILITIES OF HE, NE AND AR BY MULTICONFIGURATIONAL LINEAR RESPONSE

The frequency-dependent electric dipole polarizabilities of He, Ne and Ar are computed using multiconfigurational linear response (MCLR/MCTDHF). MCTDHF provides the correct linear response to optimized multiconfigurational wavefunctions, thus properly accounting for a large part of the correlation effects in response properties. The calculations are performed with extended basis sets. The results compare well with both experiment and other theoretical calculations and are particularly relevant to understanding the role of the polarizability in the recently observed generation of high-order harmonics with intense radiation. © 1990.