Second-Order Perturbation Theory in Atomic and Molecular Quantum Mechanics (Application to the Electric Dipole and Quadrupole Polarizabilities and Shielding Factors of the Beryllium Atom)
- 15 March 1964
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 40 (6), 1478-1485
- https://doi.org/10.1063/1.1725349
Abstract
A new method, previously used in calculating atomic correlation energies, is shown to be applicable to a wide variety of atomic and molecular problems. Use is made of the fact that it is possible in many problems to calculate exactly the first‐order perturbation correction to uncoupled Hartree—Fock wavefunctions and also second‐order energy expressions. Particular application is made to the numerical calculation of dipole and quadrupole polarizabilities and shielding factors for the beryllium atom.Keywords
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