Sen, K. D. (1981) On deviations in Ruedenberg energy formula for molecules Journal of Chemical Physics, 74 (2). pp. 1500-1501. ISSN 0021-9606
Full text not available from this repository.
Official URL: http://link.aip.org/link/jcpsa6/v74/i2/p1500/s1
Related URL: http://dx.doi.org/10.1063/1.441166
Abstract
The deviation Δ=E−3/2εkνkεk in the Ruedenberg energy formula is discussed in terms of atomic parameters. The formula Δ~εa(Eza−21ee) is found to give good approximation to Δ. Ea and Veea represent the core energy and interelectronic energy of the constitutent atoms in the molecule.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| Keywords: | Molecular Orbital Method; Energy; Molecular Structure; Molecular Models |
| ID Code: | 44964 |
| Deposited On: | 24 Jun 2011 13:33 |
| Last Modified: | 24 Jun 2011 13:33 |
Repository Staff Only: item control page
