THE FORMS OF THE EQUATIONS OF THE SELF-CONSISTENT FIELD (O VIDAKH URAVNENII SAMOSOGLASOVANNOGO POLYA),
Abstract
It is pointed out that neglect of the exchange terms between shells in the Fock equations leads to equations that differ substantially from the Hartree equations in the general case. However, the use of an atomic wave function in the form of a single product of orbitals is ambiguous. It is shown that the Hartree equations can be obtained unambiguously by the use of an atomic function in the form of a product of radial orbitals. The atomic wave function expressed as a single determinant in the 'unrestricted' Hartree-Fock method is pointed out to be ambiguous. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Apr 01, 1965
- Accession Number
- AD0669167
Entities
People
- A. P. Yutsis
- Ya. I. Vizbaraite
Organizations
- American Meteorological Society