[Wavepacket-user] Coulomb problem

[wanglei365x<wan...@16...>]

Hello,

   I am trying to solve the  hydrogenlike Coulomb problem in Fourier method. The wave function has the boundary condition fai(0)=0. So i have to double the grid over to the negative r side.  When implement the 'wavepacket', in this r range, the grid_fft grid contain a grid point 'r_i = 0', this make the Coulomb potential divergence. And the choice  of value of the variable 'hamilt.truncate' makes significant influence to the result. Is this problem existence in the 'wavepacket' and how can i set the value of the variable 'hamilt.truncate'(the estimate Coulomb potential is divergence near the origin)

2010-10-20



wanglei365x