Phys. Rev. Lett. 62, 2088 - 2091 (1989)Novel pseudo-Hamiltonian for quantum Monte Carlo simulations |
PRL Celebrates 50 Years
This Week's Milestone Letters are from 1984: |
G. B. Bachelet, D. M. Ceperley, and M. G. B. Chiocchetti
Centro Consiglio Nazionale delle Ricerche and Dipartimento di Fisica, Università degli Studi di Trento, I-38050 Povo Trento, Italy and National Center for Supercomputing Applications and Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801
Received 28 April 1988
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/abstract/PRL/v62/p2088
DOI: 10.1103/PhysRevLett.62.2088
PACS: 31.10.+z, 05.30.Fk, 31.20.Sy, 71.10.+x
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