Calculating the Energy Spectrum in a Hamiltonian: Tips and Techniques?

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To numerically calculate the energy spectrum for a Hamiltonian in a periodic or disordered potential, expand the wavefunction in a basis of differentiable functions to transform the differential equation into a matrix eigenvalue problem. The choice of basis is crucial, especially in disordered potentials, as it can lead to truncation issues in numerical implementations. Techniques such as using a complete orthonormal basis or applying methods like the Lanczos algorithm can help mitigate these problems. It's important to ensure that the basis functions are suitable for the specific potential being analyzed. Proper selection and implementation of the basis will lead to accurate energy spectrum calculations.
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Hi everyone,

I'm having some problems with this topic. how to numerically calculate the energy spectrum for a certain Hamiltonian? eg., in a periodic potential or disordered potential:
\widehat{H}=-\frac{\partial^{2}}{\partial x^{2}}+cos(x)+V(x)

Thanks for your time and attention.
 
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Expand your wavefunction in a basis of differentiable functions, and then you will convert your differential equation into a matrix eigenvalue equation. From there, use any matrix eigenvalue routine to get your energy spectrum.
 
Hi Kanato,

Thanks for reply.

Still I'm not clear with which basis it is appropriate to calculate the E(k) spectrum in disordered potential, since there may be a trucation problem in numerical implementation. Is there any special technique?

Best regards
 
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