Distinguishable-electron method for electronic structure calculations. IV. Polarizability of three- and four-electron atoms
Creators
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
- DOI
- 10.1063/1.1677425;
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
- Updated automatically by Metadata and Full-Text Enrichment Agent