Rsccncd 5 Scptcmbcr 198 1 The s~.tttc elcctnc dtpole pohrtzabtittcs for Rb and Cs arc obtancd from iiite-licld SCF and CI calculattons ustng r&ttwstlc cliccttw potentials dovelopcd by Chrtsttanscn et 31 Results agrcr wtth the e~pcrlmcnral v;llucs of hlolol et aI 10 1, tthtn ~5% By contrat, calculauo
The static electric permittivity for liquids of polarizable dipoles
β Scribed by M. Mandel
- Publisher
- Elsevier Science
- Year
- 1973
- Weight
- 926 KB
- Volume
- 66
- Category
- Article
- ISSN
- 0031-8914
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π SIMILAR VOLUMES
An ab initio treatment of the molecular geometry and static dipole polarizability for naphthalene in its electronic ground state is reported, using the coupled perturbative Hartree-Fock method. It is shown that the 6-31 +G and the 6-311 +G basis sets both give polarizability values that are in excel
The dipole moment, static polarizability and hyperpolarizabilities of hydrogen peroxide, H202, have been determined in large-scale ab initio calculations using the coupled cluster method, CCSD(T). The dependence of the calculated properties on the torsional HOOH angle is discussed. At the CCSD(T)/au