A new procedure for sampling molecular wave functions in quantum Monte Carlo calculations is used to determine energies for a number of configurations of the molecular ion H+3. With the Green’s function fixed by use of a trial energy and with no drift terms required for importance sampling the procedure is both simple and efficient. For the equilibrium configuration of H+3 the energy is found to be −1.343 76±0.000 03 a.u. (i.e., ±0.02 kcal/mol).
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James B. Anderson (1987) studied this question.
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