JacobiMatrix - crowlogic/arb4j GitHub Wiki

  1. Jacobi Matrix in Quantum Mechanics: The Jacobi matrix in quantum mechanics is often used to quantize the Schrödinger equation for systems with lattice-like structures. A typical Jacobi matrix, representing the Hamiltonian $H$, is tridiagonal and can be represented as:

$$ J = \begin{pmatrix} a_1 & b_1 & 0 & \cdots & 0 \ b_1 & a_2 & b_2 & \cdots & 0 \ 0 & b_2 & a_3 & \cdots & 0 \ \vdots & \vdots & \vdots & \ddots & \vdots \ 0 & 0 & 0 & \cdots & a_n \end{pmatrix} $$

where $a_i$ are the diagonal elements representing the on-site energy or potential at each lattice site, and $b_i$ are the off-diagonal elements representing the coupling between adjacent states. In this representation, other potential terms such as $c_n$ are set to zero or not included, focusing on the nearest-neighbor interactions and site-specific properties. This simplification is common in basic tight-binding models where only nearest-neighbor interactions are considered.

  1. Tight-Binding Model: The tight-binding model simplifies the movement of electrons in a crystal lattice. The Hamiltonian for this model, $H_{TB}$, reflects the energy levels and interactions in the lattice. It can be expressed in a form similar to a Jacobi matrix:

$$ H_{TB} = \sum_{i} \epsilon_i |i\rangle \langle i| + \sum_{\langle i,j \rangle} t_{ij} (|i\rangle \langle j| + |j\rangle \langle i|) $$

Here, $\epsilon_i$ represents the energy at site $i$, and $t_{ij}$ represents the hopping energy between adjacent sites $i$ and $j$.

  1. Fourier-Bessel Transform and Time Evolution: The Fourier-Bessel transform is utilized in quantum mechanics for solving systems with spherical symmetry. The time evolution of a state $|\psi(t)\rangle$ is governed by the Schrödinger equation:

$$ i\hbar \frac{\partial}{\partial t}|\psi(t)\rangle = H |\psi(t)\rangle $$

Applying the Fourier-Bessel transform to this equation can simplify the analysis, especially in spherical coordinates.

  1. Integration of Concepts: In the tight-binding model, the Hamiltonian often resembles a Jacobi matrix. The Fourier or Fourier-Bessel transform is used to move to momentum space or solve the system in spherical coordinates, key for understanding the time evolution of quantum states. The time-evolution operator $U(t) = e^{-iHt/\hbar}$ can be applied to determine the state at any time $t$.

In summary, the Jacobi matrix provides a framework for quantizing quantum mechanical problems, the tight-binding model gives a simplified description of electron behavior in lattice structures, and the Fourier-Bessel transform assists in handling problems with spherical symmetry, particularly in the time evolution of quantum states.