All Outputs (2)

3-body energy terms in a quartet state of H3 (1971)
Journal Article

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

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 about Symmetry properties of one- and two- electron molecular integrals.