Computational Methods in Atomic and Molecular Physics

本研究的目的是1)在原子和分子物理中发展更好和更有效的计算方法；2)在小原子系统上进行可与实验相比较的高精度计算。研究了收敛速度，并仔细估计了变分计算中的误差。具体问题包括构造包含所有已知奇点的He波函数，估计各种基集展开技术中的非线性参数，研究狄拉克方程和贝特对数计算。＊＊＊

9406318 Hill The objectives of this research are 1) the development of better and more efficient computational methods in atomic and molecular physics and 2) highly accurate calculations on small atomic systems which can be compared to experiment. Convergence rates are studied and errors in variational calculations carefully estimated. Specific problems include the construction of He wavefunctions incorporating all known singularities, estimates of non-linear parameters in various basis set expansion techniques, studies of the Dirac equation and Bethe logarithm computations. ***