Many-electron wave functions represented as naturally correlated pairs: I. Method and application to H2 and LiH

A double self-consistent-field method fo

A double self-consistent-field method for electron correlation: Applications to LiH, H2O, and cyclopropane

✍ A. Liakus; G. A. Gallup 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 849 KB

## Abstract A computational procedure which introduces some electron correlation into quantum mechanical calculations is described. Diverse applications are given. Among these, the method gives values of 65.6 kcal/mole for the dissociation energy of LiH, 62.0 kcal/mole for the ring‐opening energy o