A common mistake: the sum of Hartree Hamiltonians as starting point for perturbation calculation
| Autor: | E Bonderup |
|---|---|
| Rok vydání: | 1992 |
| Předmět: |
Physics
General Physics and Astronomy Perturbation (astronomy) Mistake Basis function Hartree Schrödinger equation symbols.namesake Hartree equation Quantum mechanics Physics::Atomic and Molecular Clusters symbols Physics::Atomic Physics Physics::Chemical Physics Wave function Hamiltonian (quantum mechanics) |
| Zdroj: | European Journal of Physics. 13:219-221 |
| ISSN: | 1361-6404 0143-0807 |
| DOI: | 10.1088/0143-0807/13/5/004 |
| Popis: | In the description of multielectron atoms, the Hartree treatment provides one-electron wavefunctions satisfying one-electron Schrodinger equations. It is a common mistake in textbooks to regard the sum of the corresponding one-particle Hamiltonians as the unperturbed operator in a perturbation treatment of the energy of the atom. Although it does not lead to incorrect results, this point of view is quite misleading, as it corresponds to double counting of the electronic repulsion in the unperturbed state. Instead, the approximate atomic wavefunctions produced by the Hartree equation should be considered as basis functions for a restricted space within which the correct atomic Hamiltonian is diagonalized. |
| Databáze: | OpenAIRE |
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