Research Repository

See what's under the surface


3-body energy terms in a quartet state of H3 (1971)
Journal Article
Brailsford, D. F., & Ford, B. (1971). 3-body energy terms in a quartet state of H3. Chemical Physics Letters, 12(1),

Calculations of the 3-body energy term in a quartet (4A2 ) state of H3 (equilateral triangle nuclear-configurations) show a minimum in the 3-body energy for a side length of about 1.3 bohrs.

Symmetry properties of one- and two- electron molecular integrals (1971)
Journal Article
Brailsford, D. F., & Hall, G. G. (1971). Symmetry properties of one- and two- electron molecular integrals. International Journal of Quantum Chemistry, V,

The maximum numbers of distinct one- and two-electron integrals that arise in calculating the electronic energy of a molecule are discussed. It is shown that these may be calculated easily using the character table of the symmetry group of the set of... Read More