Correlations in a self-consistent effective-field theory
β Scribed by M.E. Lines
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 225 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0022-3697
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π SIMILAR VOLUMES
A method is given for eliminating the off-diagonal lqrangian multipliers which appear in open-shell SCF theory. This lcads to a set of coupled eigenvalue equations which is easily solved for a new guess to the SCF orbit&. This proccdurc has proven more conveient than many others now in use.
A recently developed perturbation theory for solving self-consistent field equations is applied to the hydrogen atom in a strong magnetic field. This system has been extensively studied using other methods and is therefore a good test case for the new method. The perturbation theory yields summable
The correlation effect for two-electron atomic systems has been taken into account by modifying the potential of the electron interactions appearing in the Hartree-Fock equation. The correlation energies obtained for H-, He, Li+ and Be 2t-differ by less than 20% from the exact values.
## Abstract A single cylindrical polyelectrolyte brush is studied by selfβconsistent field (SCF) theory and the results compared with predictions from scaling theory. It is shown that the SCF theory results give the general trends as well as insight into the crossover regions between different regi