Open uday-sankar opened 1 year ago
As for the unit of $\hbar$, you can check #294. As for the energy of Gaussian packets, I think the dependance could be natural since the min or max momentum of the momentum space is dependent on the position space.
Yeah, thanks for your response. Later going through some theory I understood the problem. And thank you for clarifying the hbar unit.
I wanted to create a gaussian packet of particular energy so I tried making Gaussian packets with different momenta fixing the sigma. The energy of the wavepacket increases when I increase the po_x value but after a point, the energy sharply decreases even with a higher p0_x. And one more question, is h-bar=1 in the software? i.e, all the units are in Hartree atomic units or S.I units? Further, The energy of a gaussian state depends on the resolution of the grid. My energy went from 47Kcal to 27Kcal when I changed the resolution in the x-axis from 170 to 200 points.