Novel pseudo-Hamiltonian for quantum Monte Carlo simulations

G. B. Bachelet, D. M. Ceperley, M. G.B. Chiocchetti

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish (US)
Pages (from-to)2088-2091
Number of pages4
JournalPhysical review letters
Volume62
Issue number18
DOIs
StatePublished - 1989

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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