Abstract
The degenerate many-body perturbation theory in Brandow's diagrammatic expansion is applied to 16 excited states of H2 at two internuclear separations. A single set of molecular orbitals at each separation is used for all states. Energy corrections up to third order (inclusive) are calculated, and higher-order effects are estimated by geometric extrapolation. Results agree with best available values to 1-2 kcal/mole. Differences between Goldstone and Brandow diagrams are discussed.
| Original language | English |
|---|---|
| Pages (from-to) | 2199-2205 |
| Number of pages | 7 |
| Journal | The Journal of Chemical Physics |
| Volume | 63 |
| Issue number | 5 |
| DOIs | |
| State | Published - 1975 |