Finite field configuration interaction calculations on the distance dependence of the hyperpolarizabilities of H2
- 10 December 1981
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 44 (5), 1215-1227
- https://doi.org/10.1080/00268978100103131
Abstract
We present the results of finite field full CI calculations of the first three non-vanishing (hyper)polarizabilities of the hydrogen molecule: the dipole-field α11, the quadrupole-(field)2 β211 and the dipole-(field)3 γ1111 polarizability. The internuclear distance is varied from 0·2 to 6·0 a 0; correlation effects on the (hyper)polarizabilities and their derivatives are investigated.Keywords
This publication has 12 references indexed in Scilit:
- Dynamic dipole polarizability of H2 and HeH+The Journal of Chemical Physics, 1980
- Static higher polarizabilities ofPhysical Review A, 1979
- Anisotropy of long range interactions between linear molecules: H2-H2 and H2-HeMolecular Physics, 1979
- The quadrupole moment of the H2 moleculeThe Journal of Chemical Physics, 1978
- Spherical tensor theory of molecular multipole moments and polarizabilitiesChemical Physics, 1976
- Polarizability of the Hydrogen MoleculeThe Journal of Chemical Physics, 1967
- Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. I. Theory for Closed-Shell SystemsThe Journal of Chemical Physics, 1965
- Gaussian-Type Functions for Polyatomic Systems. IThe Journal of Chemical Physics, 1965
- Accurate Electronic Wave Functions for theMoleculeReviews of Modern Physics, 1960
- Note on the Bhagavantam–Suranarayana method of enumerating the physical constants of crystalsActa Crystallographica, 1949