Ak. Das et Aj. Thakkar, STATIC RESPONSE PROPERTIES OF 2ND-PERIOD ATOMS - COUPLED-CLUSTER CALCULATIONS, Journal of physics. B, Atomic molecular and optical physics, 31(10), 1998, pp. 2215-2223
Accurate static dipole polarizabilities and hyperpolarizabilities are
calculated for the ground states of the boron, carbon, nitrogen, oxyge
n and fluorine atoms. Anisotropies are reported for the P-state atoms.
The computations are based on a finite-field procedure using energies
computed with [10s7p7d6f] basis sets of contracted Gaussian-type func
tions and the CCSD(T) method, that is the coupled cluster method in th
e space of single and double substitutions Corrected non-iteratively f
or the effects of triple substitutions. These are the first electron-c
orrelated hyperpolarizabilities reported to date for all but one of th
ese atoms.