| 摘要 |
PROBLEM TO BE SOLVED: To provide an electronic potential arithmetic unit, capable of efficiently and quickly calculating electronic potential, and an electronic potential arithmetic method and a physical property predicted value arithmetic unit. SOLUTION: The electronic potential arithmetic unit 10 has: an input potential arithmetic part 25 for calculating new input potential; and an adjustment parameter setting part 26 for setting an adjustment parameter for adjusting a convergence parameter. The convergence parameter to be calculated by the input potential arithmetic part 25 includes an inverse of a filter term taking a relatively small value on the long wavelength side where the number of waves corresponding to each Fourier component is small rather than at the short wavelength side where the number of waves is large as a first term in its denominator, and the adjustment parameter set by the adjustment parameter setting part 26 includes a first adjustment parameter constituting a second term added to the first term, and a second adjustment parameter multiplied to the first term. COPYRIGHT: (C)2009,JPO&INPIT
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