Phys. Rev. Lett. 62, 2088–2091 (1989)Novel pseudo-Hamiltonian for quantum Monte Carlo simulationsReceived 28 April 1988; published in the issue dated 1 May 1989 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. © 1989 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.62.2088
DOI:
10.1103/PhysRevLett.62.2088
PACS:
31.10.+z, 05.30.Fk, 31.20.Sy, 71.10.+x
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