PAMOP：Petascale原子、分子和光学碰撞计算
PAMOP: Petascale Atomic, Molecular and Optical Collision Calculations
摘要：
Petaflop架构目前被有效地用于在原子、分子和光学碰撞中执行大规模计算。我们使用R-矩阵或R-矩阵与伪态方法求解薛定谔或狄拉克方程的适当碰撞问题。我们简要概述了当前Breit-Pauli和DARC代码套件使用和实施的并行方法。在这份报告中，各种例子显示，从我们的理论结果与实验结果相比，从同步辐射设施的克雷架构在HLRS在我们的计算项目中发挥着不可或缺的一部分。
英文摘要：
Petaflop architectures are currently being utilized efficiently to perform large scale computations in Atomic, Molecular and Optical Collisions. We solve the Schrödinger or Dirac equation for the appropriate collision problem using the R-matrix or R-matrix with pseudo-states approach. We briefly outline the parallel methodology used and implemented for the current suite of Breit-Pauli and DARC codes. In this report, various examples are shown from our theoretical results compared with experimental results obtained from Synchrotron Radiation facilities where the Cray architecture at HLRS is playing an integral part in our computational projects.
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