Frequency‐dependent polarizability of open‐shell atomic systems
- 1 January 1975
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 9 (1) , 75-81
- https://doi.org/10.1002/qua.560090109
Abstract
The time‐dependent variational principle is used to calculate the frequency‐dependent dipole polarizabilities of 2p open‐shell atomic systems. A general theory is built up to include frequency‐dependent perturbations using the Roothaan–Hartree–Fock (HFR) formalism. The excitation energies corresponding to the low‐lying excited states of the system are obtained from the poles of the dynamic polarizability values. A fairly accurate knowledge of transition oscillator strengths is also obtained from a knowledge of the polarizability values near the poles. The excitation energies and oscillator strengths are compared with available data.Keywords
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