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This paper investigates Monte Carlo techniques for construction of compactwavefunctions for the internal atomic motion of the D3O+ ion. The polarizationforce field models of Stillinger, et al and of Ojamae, et al. were used.Initial pair product wavefunctions were obtained from the asymptotic hightemperature many-body density matrix after contraction to atom pairs usingMetropolis Monte Carlo. Subsequent characterization shows these pair productwavefunctions to be well optimized for atom pair correlations despite that factthat the predicted zero point energies are too high. The pair productwavefunctions are suitable to use within variational Monte Carlo, includingexcited states, and density matrix Monte Carlo calculations. Together with thepair product wavefunctions, the traditional variational theorem permitsidentification of wavefunction features with significant potential for furtheroptimization. The most important explicit correlation variable found for theD3O+ ion was the vector triple product {\bf r}$_{OD1}\cdot$({\bfr}$_{OD2}\times${\bf r}$_{OD3}$). Variational Monte Carlo with 9 of suchexplicitly correlated functions yielded a ground state wavefunction with anerror of 5-6% in the zero point energy.Comment: 17 pages including 6 figures, typos correcte

Construction of simulation wave functions for aqueous species: D3O+