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    • 4. 发明申请
    • Numerical simulation apparatus for time dependent schrodinger equation
    • 用于时间依赖薛定er方程的数值模拟装置
    • US20090204375A1
    • 2009-08-13
    • US12310879
    • 2007-09-07
    • Kikuji HiroseHidekazu Goto
    • Kikuji HiroseHidekazu Goto
    • G06F17/13G06F17/50G06F19/00
    • G06F17/5009G06F2217/16
    • To provide a numerical simulation apparatus capable of executing a numerical simulation with high speed and precision by reducing computational complexity. A numerical simulation apparatus (100) that executes a numerical simulation using a wave function which is a solution of a time dependent Schrödinger equation includes: a real time evolution calculation unit (106) that calculates a second wave function while evolving the second wave function from an initial time in increments of a predetermined time period, the second wave function being obtained by applying a central difference approximation in a real-space finite-difference method to a first wave function expressed using a propagator, and being expressed using a Bessel function; and a calculation result storage unit (108) that stores a calculation result of the second wave function obtained at each time by the time evolution calculation unit (106) while evolving the second wave function in increments of the predetermined time period.
    • 提供能够通过降低计算复杂度以高速度和精度执行数值模拟的数值模拟装置。 使用作为时间相关薛定er方程的解的波函数执行数值模拟的数值模拟装置(100)包括:实时演化计算单元(106),其计算第二波函数,同时从第 以预定时间段为增量的初始时间,通过将实空间有限差分法中的中心差分近似应用于使用传播者表达的第一波函数并使用贝塞尔函数表达来获得第二波函数; 以及计算结果存储单元,其存储由所述时间演算计算单元(106)在每个时间获得的所述第二波函数的计算结果,同时以所述预定时间段的增量来演进所述第二波函数。