Pérez-Jordá

Change of variables for fully numerical electronic-structure calculations that concentrates the grid points in the atomic-core regions and is adequate for fast Fourier transforms.

Pérez-Jordá, 1995, Physical review. A, Atomic, molecular, and optical physics.

Spectroscopic constants of diatomic molecules computed correcting Hartree-Fock or general-valence-bond potential-energy curves with correlation-energy functionals.

Pérez-Jordá, San-Fabián, Moscardó, 1992, Physical review. A, Atomic, molecular, and optical physics.