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
β¦ LIBER β¦
Ab initio study of the static dipole polarizability of neutral and charged naphthalene
β Scribed by H. J. S. Machado; A. Hinchliffe
- Book ID
- 112083092
- Publisher
- John Wiley and Sons
- Year
- 1997
- Weight
- 85 KB
- Volume
- 2
- Category
- Article
- ISSN
- 1082-4928
- DOI
- 10.1002/ejtc.28
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