The perturbation equations necessary for the evaluation of the paramagne&ic part of the Cotton-Mouton constant of helium are derived as an example of coupled Hartree-Fock theory for a double perturbation and the ensuing mtegro-drfferentlal equations solved numerically. A comment is made on the error
Coupled Hartree-Fock calculation of the cotton-mouton constant and hyperpolarizability of helium
β Scribed by M.J. Jamieson
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 237 KB
- Volume
- 154
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Expressions for the diamagnetic part of the Cotton-Mouton constant and the hyperpolarizability of helium are obtained within the coupled Hartree-Fock approximation; they involve solutions of integro-differential equations which are solved numerically in a calculation of these properties. An earlier result is recalled to yield the complete Cotton-Mouton constant.
π SIMILAR VOLUMES
Coupled-Hartree-Fock calculations of the static third-order hyperpolarizabilities (y) in the chain direction for regular polydiacetylene and several donor (D)-acceptor (A) substituted polydiacetylene oligomers through &H14 are carried out at the level of the INDO approximation. The modes of the vari
UHk SCF ulculations with ZI medium-sized basis set of gaussian lobe functions have been performed on the ground state of the X0 Ladical. All the harmonic and the diagonal cubic force constants have been calculated by thb force method of Pulay. From the force constants, vibrational frequexies have be