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)
Journal Article
·
· Journal of Chemical Physics (U.S.)
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. (auth)
- Research Organization:
- Univ. of California, San Diego, La Jolla, Calif.
- Sponsoring Organization:
- USDOE
- NSA Number:
- NSA-18-016801
- OSTI ID:
- 4067605
- Journal Information:
- Journal of Chemical Physics (U.S.), Journal Name: Journal of Chemical Physics (U.S.) Vol. Vol: 40; ISSN JCPSA
- Country of Publication:
- Country unknown/Code not available
- Language:
- English
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