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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.
The text was updated successfully, but these errors were encountered:
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.
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.
The text was updated successfully, but these errors were encountered: