Nonlocal potentials based on angular-momentum projection operators can be transformed into local, yet angular-momentum dependent, pseudo-Hamiltonians by modifying the kinetic energy operator. Ionic pseudo-Hamiltonians of this type can replace core electrons in atomic calculations. Their use in Green s-Function Monte Carlo simulations gives accurate electron affinities, ionization, and binding energies for second-row atoms and diatomics. This opens the way to quantum simulations of many condensed-matter systems.
ASJC Scopus subject areas
- Physics and Astronomy(all)