Coupled-cluster calculation of hyperpolarizabilities and polarizabilities for Be
- 1 July 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 40 (2) , 1130-1132
- https://doi.org/10.1103/physreva.40.1130
Abstract
The dipole-dipole-quadrupole (B) and second-dipole (γ) hyperpolarizabilities and the dipole () and quadrupole () polarizabilities are calculated for the ground state of the beryllium atom. The results are based on finite-field energies computed using the coupled-cluster double-excitation model (commonly known as CCD), corrected by fourth-order contributions from single and triple excitations computed with CCD amplitudes. The final values are =37.30 , =298.8 , B=-2102 , and γ=3.15 × .
Keywords
This publication has 18 references indexed in Scilit:
- Static hyperpolarisabilities and polarisabilities for Be: a fourth-order Moller-Plesset perturbation theory calculationJournal of Physics B: Atomic, Molecular and Optical Physics, 1988
- The dipole polarizability of Li−Chemical Physics Letters, 1988
- Electron Correlation in MoleculesPublished by Springer Nature ,1987
- Towards a full CCSDT model for electron correlationThe Journal of Chemical Physics, 1985
- An augmented coupled cluster method and its application to the first-row homonuclear diatomicsThe Journal of Chemical Physics, 1985
- Finite-field many-body perturbation theory. VI. Multipole polarizabilities of beryllium. A comparative studyChemical Physics, 1983
- Finite-field many-body perturbation theory quadrupole polarizability of BeChemical Physics Letters, 1982
- Configuration interaction and perturbation study of the electron correlation contribution to the dipole polarizability of berylliumChemical Physics, 1982
- Symmetry-adapted coupled-pair approach to the many-electron correlation problem. II. Application to the Be atomPhysical Review A, 1981
- Atomic polarizabilities and shielding factorsAdvances in Physics, 1962