Andzelm

Local-density-functional total energy gradients in the linear combination of Gaussian-type orbitals method.

Dunlap, Mintmire, Andzelm, 1990, Physical review. A, Atomic, molecular, and optical physics.

Second derivatives of the local-density-functional total energy when the local potential is fitted.

Dunlap, Andzelm, 1992, Physical review. A, Atomic, molecular, and optical physics.