Re: Any quantum chemists / physicists?
- To: mathgroup at smc.vnet.net
- Subject: [mg30242] Re: Any quantum chemists / physicists?
- From: Gustavo Seabra <gseabra at swbell.net>
- Date: Fri, 3 Aug 2001 00:56:11 -0400 (EDT)
- References: <9k5r6g$hc1$1@smc.vnet.net> <9kb0pc$c6n$1@smc.vnet.net>
- Sender: owner-wri-mathgroup at wolfram.com
Hi,
Thank you very much. I'd really appreciate if you could send me those
files, and the thesis one. It's not exactly what I'm doing, I deal with
Electron Propagator Theory, but it will certainly be a good reference
material. I already know I'll have to develop my own package, but it'll be
much easier if I have a starting point ;-)
Thanks,
Gustavo.
"atjurhs" <adam_jurhs at xontech.com> wrote in message
news:9kb0pc$c6n$1 at smc.vnet.net...
> Hello Gustavo,
>
> I have two packages that make use of commutators. The first one works
> rather well but does not employ a paticulary pretty notation. The
> other doesn't work too well (it does have some functionality) but it
> does have the standard Bra-Ket notation that we know and love. This
> notation package was actually produced by a fellow who worked for
> Wolfram back in 1997. Let me know if you'd like either set of codes,
> and I'll try to dig them up.
>
> Also, I wrote my Master thesis in Mathematica v3.0 on modeling quantum
> dynamical systems via wavepackets and a lattice representation. Below
> is the abstract of my thesis. If you are interested in that Mathematica
code,
> let me know and I'll send it along.
>
> A computer based simulation method for finding general solutions to
> the Time-Dependent Schrödinger Wave Equation (TDSWE) in multiple
> dimensions is presented. In particular, Mathematica is utilized to
> analyze wavepacket propagation with a "Lattice Representation" for an
> arbitrary, but specified, potential energy configuration. The Lattice
> Representation Model along with Fourier Transform principles enables
> the Time-Development Operator to be computed across arbitrarily
> complicated potential terms in the T.D.S.W.E. and provides for
> arbitrarily exact numerical solutions.
> This simulation technique has been applied to a diverse array of
> quantum dynamic systems using a desktop personal computer. The
> specific system presented for explanation of the model is that of an
> electron wavepacket traveling down a Quantum Wire with an "Electron
> Trap" potential. This particular system was chosen because of its
> increasing importance in applications to Nanotechnology and Quantum
> Registries of quantum computers. A second system presented, the
> Harmonic Oscillator, is used for validation of the modeling technique.
> The various "measurements" calculated by this model include, but are
> not limited to, the system's Energy Expectation Values, Uncertainty
> Values, Energy Spectrum, and an animated graphical depiction of the
> wavepackets' time development.
>
>