Construction of simulation wave functions for aqueous species: D3O+
نویسندگان
چکیده
منابع مشابه
Construction of Simulation Wavefunctions for Aqueous Species : D
This paper investigates Monte Carlo techniques for construction of compact wavefunctions for the internal atomic motion of the D 3 O + ion. The polarization force field models of Stillinger, et al. and of Ojamae, et al. were used. Initial pair product wavefunctions were obtained from the asymptotic high temperature many-body density matrix after contraction to atom pairs using Metropolis Monte ...
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This paper investigates Monte Carlo techniques for construction of compact wavefunctions for the internal atomic motion of the D 3 O + ion. The polarization force field models of Stillinger, et al. and of Ojamae, et al. were used. Initial pair product wavefunctions were obtained from the asymptotic high temperature many-body density matrix after contraction to atom pairs using Metropolis Monte ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1998
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.477548