Schrödinger方程的辛结构与量子力学的辛算法

SYMPLECTIC STRUCTURE OF SCHRODINGER EQUATION AND SYMPLECTIC ALGORITHMS FOR QUANTUM MECHANICS

  • 摘要: 冯康开创的哈密顿力学的辛算法取得了惊人的成功.这是因为哈密顿力学的数学框架是辛几何,一个合理的离散方法自然应使离散哈密顿力学保持辛结构.本文指出,经过适当的变换,Schrödinger方程也具有辛结构,从而把哈密顿力学的辛算法,推广用到量子力学.作为例子计算了中子在旋转磁场中的演化.计算结果表明,辛算法明显优于通常算法,特别是对演化时间长的情况.

     

    Abstract: The Symplectic algorithms for Hamiltonian mechanics initiated by K.Feng have proved to be a striking success. Since the underlying mathematics of Hamiltonian mechanics is sympledic geometry, the proper discretization should naturally keep the symplodic structure. We show that the Schrödinger equation, after suitable transformation, has a symplectic structure.Therefore the symplectic algorithms for Hamiltonian mechanics can be applied readily toquantum mechanics. As an example the evolution of a nuetron in a rotating magnetic field is calculated. The computational results show that the symplectic scheme is much better than the conventional one, especially for the case of long-term evolution.

     

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