Re: [Wavepacket-user] Guide

[Ulf L. <ul...@wa...>]

On Thu, 11 Oct 2012 09:29:08 +0330
"M.J.Jenabi" <ahj...@gm...> wrote:

> In The Name of God, The Compassionate, The Merciful
> 
> Dear Professors

Although far from being professor, I would just feel responsible
for answering...


> I am a PhD student at the Department of Quantum Chemistry of Isfahan
> University( IRAN). Excuse me for harassment

No problem, that is what this mailing list is for.


> I have two questions:
> 
> 1. Is this program used to transfer the electron wave packet
> Or just for the nuclear wave packet

Typically, you would calculate the nuclear wave packet, but if you have
a potential available and use some single-electron approximation, then
you should in principle also be able to calculate electronic
wavepackets.

It is not useful for electronic structure calculations (multiple,
indistinguishable particles), though.


> 2. can be performed a multi-dimensional calculations

Yes. You have to define grids in multiple dimensions (see e.g., the
harmonic oscillator demo in 2D), and that is it.


Ulf