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 · Sun Mar 15 00:00:00 EST 1964 · Journal of Chemical Physics (U.S.)

DOI:https://doi.org/10.1063/1.1725349· OSTI ID:4067605

Kelly, H P; Taylor, H 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.), Vol. Vol: 40; Other Information: Orig. Receipt Date: 31-DEC-64
• Country of Publication: Country unknown/Code not available
• Language: English

Related Subjects

PHYSICS
ATOMS
BERYLLIUM
DIPOLES
DISTRIBUTION
ELECTRIC FIELDS
ELECTRIC MOMENTS
ENERGY
ENERGY LEVELS
HARTREE-FOCK METHOD
MOLECULES
NUMERICALS
PERTURBATION THEORY
POLARIZATION
QUADRUPOLES
QUANTUM MECHANICS
SHIELDING