STATIC RESPONSE PROPERTIES OF 2ND-PERIOD ATOMS - COUPLED-CLUSTER CALCULATIONS

Authors
Citation
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
Citations number
37
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
31
Issue
10
Year of publication
1998
Pages
2215 - 2223
Database
ISI
SICI code
0953-4075(1998)31:10<2215:SRPO2A>2.0.ZU;2-S
Abstract
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.