Localized impurity states in the Hartree-Fock, LCAO approximation. I.
โ Scribed by F. Martino
- Publisher
- John Wiley and Sons
- Year
- 1968
- Tongue
- English
- Weight
- 678 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0020-7608
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๐ SIMILAR VOLUMES
The paper describes a method for the calculation of the approximate solution of the Schroedinger equation of finite Fermion systems. The method consist of approaching the exact solution in successive approximations. The first step is a Hartree-Fock calculation; the second step is the calculation of
## Abstract The singlet instabilities of the RHF ground state in infinite polyenes have been studied in the framework of a semiempirical PPP Hamiltonian, accounting for longโrange Coulomb interactions until convergence of the groundโstate energy per electron value. The symmetryโadapted RHF solution