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
- 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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