ORDER O (1) ALGORITHM FOR FIRST-PRINCIPLES CALCULATION OF TRANSIENT CURRENT THROUGH OPEN QUANTUM SYSTEMS
    1.
    发明申请
    ORDER O (1) ALGORITHM FOR FIRST-PRINCIPLES CALCULATION OF TRANSIENT CURRENT THROUGH OPEN QUANTUM SYSTEMS 审中-公开
    基于开放量子系统的第一原理计算瞬态电流的O(1)算法

    公开(公告)号:WO2017133672A1

    公开(公告)日:2017-08-10

    申请号:PCT/CN2017/072848

    申请日:2017-02-03

    Abstract: A fast algorithm is used to study the transient behavior due to the step-like pulse. This algorithm consists of two parts: The algorithm I reduces the computational complexity to T 0 N 3 for large systems as long as T 0 N 3 whenever T 2 beyond which it becomes T log 2 N for even longer time. Hence it is of order O(1) if T 2 . Benchmark calculation has been done on graphene nanoribbons with N=10 4 and T=10 8 . This new algorithm allows many large scale transient problems to be solved, including magnetic tunneling junctions and ferroelectric tunneling junctions that could not be achieved before.

    Abstract translation:

    快速算法用于研究由阶跃状脉冲引起的瞬态行为。 该算法由两部分组成:只要T N 3 算法II采用快速多极技术,并且当T 超过它时变成T log 3 2 N甚至更长的时间。 因此,如果T ,它的阶数为O(1)。 对N = 10 4和T = 10 8的石墨烯纳米带进行了基准计算。 这种新算法可以解决许多大规模的瞬态问题,包括磁隧道结和铁电隧道结,这些都是以前无法实现的。

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