CONTINUOUS REPRESENTATIONS IN THE STATISTICAL THEORY OF ELECTRONIC ENERGIES. THE H2(+) ION.
Abstract
A version of the statistical theory of electronic energies, arising from a consideration of alternative partitionings of the Hamiltonian, has been applied to the H2(+) ion, yielding electronic energies approximately 6% greater in magnitude than the exact theoretical values at several values of the internuclear separation. The binding energy at the theoretical equilibrium separation was calculated to be 0.1024 a.u. compared to the experimental value of 0.1026 a.u. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 15, 1965
- Accession Number
- AD0467482
Entities
People
- George S. Handler
- Sidney Golden
Organizations
- Brandeis University