Divergence of Faddeeva function

mit-crpg / WMP_Library

Windowed Multipole Library

MIT License

11 stars 13 forks source link

Divergence of Faddeeva function #6

Closed njchoi closed 5 years ago

njchoi commented 5 years ago

Hello! I have one more question about the usage of this library. If my understanding is proper, Im(z) can easily become a large negative value for fluctuating poles because the denominator 2*sqrt(xsi) is a small value due to the Boltzmann constant (= 8.6173303E-05 eV/K). This causes divergence of my Faddeeva function evalulator. How did you avoid this problem? Many thanks in advance!

paulromano commented 5 years ago

A different expression is used when Im(z) < 0 as can be seen in this code. This is based on the relation .