Method of Local Configuration Interaction Applied to Electronic Systems. Hydrogen Atom and Hydrogen Molecule Ion

摘要

The local configuration interaction method, a way to solve the Schrouml;dinger equation without evaluating integrals, is applied to two electronic systems: the hydrogen atom and the hydrogen molecule ion. The exact energies are reproduced for both systems. The H2plus;is treated both as a separable and nonseparable problem. The convergence to the exact energy is seen to be slower than for a variational calculation with the same basis.