How good is Hartree–Fock? Calculation of the static electric polarizability in an exactly soluble model
| Autor: | S. E. Kaufman, J. B. Krieger |
|---|---|
| Rok vydání: | 1976 |
| Předmět: |
Physics
Nuclear Theory Møller–Plesset perturbation theory Hartree–Fock method General Physics and Astronomy Unrestricted Hartree–Fock Polarizability Quantum electrodynamics Quantum mechanics Multi-configurational self-consistent field Restricted open-shell Hartree–Fock Physics::Atomic Physics Perturbation theory Post-Hartree–Fock |
| Zdroj: | American Journal of Physics. 44:571-573 |
| ISSN: | 1943-2909 0002-9505 |
| DOI: | 10.1119/1.10380 |
| Popis: | The exactly soluble model, originally considered by Moshinsky, consisting of two spin‐1/2 particles interacting through harmonic‐oscillator forces and moving in a common harmonic‐oscillator potential is extended to include the effects of an external electric field. We solve for the energy exactly, exactly in the Hartree–Fock approximation, and also compare to the results of Hartree–Fock perturbation theory. We find that the Hartree–Fock method yields the same result for the electric polarizability as the exact solution even though the field‐independent part of the energy is not the same. However, when second‐order Hartree–Fock perturbation theory is employed, the results for the polarizability can be substantially in error. Similar results obtain for the calculation of the matrix element for optical absorption in the dipole approximation. |
| Databáze: | OpenAIRE |
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