Recent content by torehan

Hi, I have a 3D gridded ( Nx,Ny,Nz : integers, respectively, size of the grid in x,y and z direction ) which contains the charge distribution of an atom, say Hydrogen, and I would like to simulate the charge density of another structure, in easiest case Hydrogen dimer. (H2) To accomplish my...

I have problems on getting used to latex. Thanks

Assuming that \int_0^{2\pi}\int_{0}^{\pi}\int_{-\infty}^\infty |\psi(r,\theta,\varphi)|^2 r^2 sin(\theta) dr d\theta d\varphi = 2\pi \int_{-\infty}^\infty r^2 |\psi_{1s}|^2 dr = 1 is correct, If I use a Gaussian as a hydrogen 1s wave-function what would be the normalization constant? (And...

Thanks for the replies. But I'm not sure about the boundaries of the integration with respect to r and \varphi I think the integration over all space must be like, \int_0^{2\pi}\int_{0}^{\pi}\int_{-\infty}^\infty |\psi(r,\theta,\varphi)|^2 r^2 sin(\theta) dr d\theta d\varphi = 2\pi...

Hi, If the normalized 1D wave-function of hydrogen atom for n=1, l=0, m_l=0; \psi_{1s}(x)=\frac{1}{\sqrt{\pi} a_{0}^{3/2}}e^{-x/a_{0}} and probability distribution of wave-function, \mid\psi_{1s}(x)^2\mid so integration of rho over all x should give the number of electrons which is equal to...

Hi, In general, for most of the physical phenomenon, somewhere in the analytical procedure while developing the theory of the phenomenon, series expansions used (generally Taylor expansion) which is a key point of the analytical steps. My question is why we should use such expansions I...

Yes, now it's more clear. Thanks for your constructive talk. Know another question appers.. In simple cubic crystal for the first 6 nearest-neighbor; \gamma_{ij}(R)=- \int d\vec{r} \psi^{*}_{i}(\vec{r})\psi_{j}(\vec{r}-\vec{R}) \Delta U(\vec{r}) must be diagonal. I made some calculations...

It smells like \pi / 2 rotational symmetry for each axes but.. still not clear.

\phiHi all, I would like to make band structure calculations with tight binding method and I start reading about this method from Ashcroft - Mermin, Chapter 10: The Tight Binding Method and try to solve the problems at the and of the chapter. In problem 2 a. As a consequence of cubic...

Thanks for the posts. Theese are actually what I need.

Thanks for your advice but can't find any printed or electronic version. Is there any alternative?

Is there any book or source avaliable that clearly shows the point symmetry operation with matrix representations?

I know that this topic doesn't take much attention of most of you as there are more interesting topics about paradoxes of physics but I need a little bit guidance about reproducing the band structure diagrams shown in Kittel , 170p in 8th Edition :) So we have different wave solution for...

Oh i see, I had some conceptual errors on writing the wave eq. Thanks! Torehan

OK, so what about first region? \frac{{d^2 \psi }}{{dx^2 }} = q^2 \psi, where q^2 = \frac{{2m\left( {E} \right)}}{{\hbar ^2 }}. Isn't it also 2.nd order ODE ?