In The Name of God, The Compassionate, The Merciful
I am a PhD student at the Department of Quantum Chemistry of Isfahan
University( IRAN). Excuse me for harassment
I have two questions:
1. Is this program used to transfer the electron wave packet
Or just for the nuclear wave packet
2. can be performed a multi-dimensional calculations
Thank you for your considerations.
Mohammad Jafar Jenabi
On Thu, 11 Oct 2012 09:29:08 +0330
"M.J.Jenabi" <ahjenabi@...> wrote:
> In The Name of God, The Compassionate, The Merciful
> Dear Professors
Although far from being professor, I would just feel responsible
> 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
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.