Oscillator brackets at non equal particle masses

Efficient programs to calculate two-particle oscillator brackets (or Talmi-Moshinsky-Smirnov coefficients) have been constructed recently, Comput. Phys. Comm. 265 (2021) 108005. The corresponding Talmi-Smirnov transformation is mostly performed in case of particles of equal masses and the constructed programs have been tested in detail as to this case. However, it occurred that those programs included a bug revealing itself in case when particle masses are different. The bug is eliminated in the present version of the programs. All the various tests employed previously at equal masses of particles now reproduce the required results for the case of different masses as well.

近期已开发出用于计算双粒子振子括号（或称塔尔米-莫什金斯基-斯米尔诺夫系数（Talmi-Moshinsky-Smirnov coefficients））的高效程序，相关成果发表于《计算机物理学报》（Comput. Phys. Comm.）2021年第265卷，文章编号108005。该程序所采用的塔尔米-斯米尔诺夫变换（Talmi-Smirnov transformation）此前主要应用于粒子质量相等的场景，且已针对该场景完成了详尽的测试验证。但研究发现，原有程序在粒子质量不等的场景下存在缺陷。本版本程序已修复该缺陷。此前针对粒子质量相等场景所采用的全部各类测试，如今在粒子质量不等的场景中也能得到预期的计算结果。