Static dipole polarizabilities ([small alpha]) and static second hyperpolarizabilities ([gamma]) of the rare gas atoms (He-Rn) Export

@article{citeulike:3755496, abstract = {Static polarizabilities, [small alpha], and static second hyperpolarizabilities, [gamma], of the rare gas atoms, He-Rn, are investigated employing CCSD(T) calculations and large basis sets. For the lighter atoms, He-Kr, x-aug-cc-pVXZ basis sets were employed in order to test convergence (x = s-5; X = D-6). Further basis sets were employed for He in order to investigate basis set requirements. For the heavier species, effective core potentials (ECPs) are employed, together with a large, flexible valence space. [small alpha] and [gamma] were obtained by fitting the energies to standard expressions.}, author = {Soldan, Pavel and Lee, Edmond P. and Wright, Timothy G.}, citeulike-article-id = {3755496}, citeulike-linkout-0 = {http://dx.doi.org/10.1039/b105433n}, citeulike-linkout-1 = {http://www.rsc.org/Publishing/Journals/article.asp?doi=b105433n}, doi = {10.1039/b105433n}, journal = {Phys. Chem. Chem. Phys.}, number = {21}, pages = {4661--4666}, posted-at = {2008-12-08 11:28:42}, priority = {4}, publisher = {The Royal Society of Chemistry}, title = {Static dipole polarizabilities ([small alpha]) and static second hyperpolarizabilities ([gamma]) of the rare gas atoms (He-Rn)}, url = {http://dx.doi.org/10.1039/b105433n}, volume = {3}, year = {2001} }

TY - JOUR ID - citeulike:3755496 L3 - citeulike-article-id:3755496 N2 - Static polarizabilities, [small alpha], and static second hyperpolarizabilities, [gamma], of the rare gas atoms, He-Rn, are investigated employing CCSD(T) calculations and large basis sets. For the lighter atoms, He-Kr, x-aug-cc-pVXZ basis sets were employed in order to test convergence (x = s-5; X = D-6). Further basis sets were employed for He in order to investigate basis set requirements. For the heavier species, effective core potentials (ECPs) are employed, together with a large, flexible valence space. [small alpha] and [gamma] were obtained by fitting the energies to standard expressions. IS - 21 JF - Phys. Chem. Chem. Phys. EP - 4666 TI - Static dipole polarizabilities ([small alpha]) and static second hyperpolarizabilities ([gamma]) of the rare gas atoms (He-Rn) PB - The Royal Society of Chemistry VL - 3 SP - 4661 AU - Soldan, Pavel AU - Lee, Edmond AU - Wright, Timothy PY - 2001/// UR - http://dx.doi.org/10.1039/b105433n ER -