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better equations
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NathanCQC committed Dec 20, 2024
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16 changes: 15 additions & 1 deletion mvsp/applications/chemistry/examples/circuit_plane_waves.ipynb
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"source": [
"We aim to generate a quantum circuit that prepares a plane wavefunction for a given lattice. The plane wavefunction is given by:\n",
"\n",
"$$\\Psi(\\mathbf{r}) = \\sum_{\\mathbf{k}} c_{\\mathbf{k}} e^{i \\pi \\mathbf{k} \\cdot \\mathbf{r}}$$"
"$$\\Psi(\\mathbf{r}) = \\sum_{\\mathbf{k}} c_{\\mathbf{k}} e^{i \\pi \\mathbf{k} \\cdot \\mathbf{r}}$$\n",
"\n",
"where:\n",
"- $\\mathbf{r}$ is the position vector.\n",
"- $\\mathbf{k}$ is the wavevector.\n",
"- $c_{\\mathbf{k}}$ is the coefficient of the wavevector $\\mathbf{k}$.\n"
]
},
{
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"\n",
"$$ H_{\\mathbf{k}, \\mathbf{k}'} = -\\frac{\\hbar^2 \\mathbf{k}^2}{2m} - \\sum_{\\mathbf{r}} \\frac{4 \\pi}{V \\cdot |\\mathbf{k}' - \\mathbf{k}|^2} e^{-i (\\mathbf{k}' - \\mathbf{k}) \\cdot \\mathbf{r}} $$\n",
"\n",
"where:\n",
"- $V$ is the volume of the lattice.\n",
"- $\\mathbf{r}$ is the position vector.\n",
"- $\\mathbf{k}$ is the wavevector.\n",
"- $m$ is the mass of the particle.\n",
"- The sum is over all lattice sites.\n",
"\n",
"The eigenvectors of this hamiltonian give the coefficients $c_{\\mathbf{k}}$.\n",
"\n",
"This solution is then used to build the single particl plane wave function in the periodic lattice in real space."
]
},
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