Published February 15, 1972 | Version v1
Journal article

Distinguishable-electron method for electronic structure calculations. IV. Polarizability of three- and four-electron atoms

Description

The distinguishable electron perturbation method is applied to the polarizability of three- and four-electron atoms, with results comparable to much more complicated coupled Hartree-Fock calculations. For the initial approximation we use a product of Slater-type orbitals with exponents optimized via the Rayleigh-Ritz principle. Using accessible correlation expressions the polarizability can be computed to first order in correlation without resorting to correlated wavefunctions. The polarization functions required for this calculation are found exactly as solutions of one-electron perturbation equations. We introduce adjustable parameters into these equations which do not affect the energy but are optimized with respect to the polarizability property.

Additional details

Identifiers

Publishing Information

Journal Title
The Journal of Chemical Physics
Journal Volume
56
Journal Issue
4
Series
J. Chem. Phys.
Journal Page Range
1685-1691
ISSN
0021-9606

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
3022407
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOMS; PERTURBATION THEORY; POLARIZATION; VARIATIONAL METHODS

Optional Information

Notes
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