Calculation apparatus, calculation method, and program
Abstract:
A calculation apparatus has: a dividing unit configured to divide a predetermined space including a substance of a calculation target into a plurality of regions; an electron wave function calculating unit configured to calculate an electron wave function for each of the regions obtained by the dividing by the dividing unit; and an all-electron wave function calculating unit configured to calculate an all-electron wave function by multiplying electron wave functions of the respective regions calculated by the electron wave function calculating unit.
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