Learning DFT: Inhomogeneous Electron Gas (Hohenberg) Question

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The forum discussion centers on Hohenberg's paper "Inhomogeneous Electron Gas," which is foundational for Density Functional Theory (DFT). The user expresses confusion regarding the Hamiltonian's kinetic energy term, specifically its expectation value form and the presence of the gradient operator. They also question the interpretation of the external potential term, seeking clarity on its representation as an expectation value integrated over space. The discussion highlights the mathematical intricacies of DFT and the application of operators in quantum mechanics.

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yosty222
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Where does the kinetic energy term of the hamiltonian come from? Is it an expectation value of the kinetic energy?
I'm reading through Hohenberg's seminal paper titled: "Inhomogeneous Electron Gas" that help lay the foundation for what we know of as Density Functional Theory (DFT) by proving the existence of a universal functional that exactly matches the ground-state energy of a system with a given interaction potential v(r). I'm working through this paper and I'm a bit confused on the exact form of the Hamiltonian he builds:
1678074328045.png


The form of kinetic energy looks like an expectation value, but not quite as I'd expect the expectation value of kinetic energy to look like ## \int \psi^* \nabla^2 \psi ##. The factor of ##\frac{1}{2}## out front makes me think it's coming from a ##\frac{\mathbf{p^2}}{2m}## term (with m = 1 in these units), but why does a ##\nabla## operator get attached to each ##\psi^*## and ##\psi##?

Similarly, for the form of V (equation (3) above), is this expressing the contribution of the external potential ##v(\mathbf{r})## as an expectation value of the external potential over some volume d##\mathbf{r}## then integrating over all space?
 
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##\psi^*\nabla^2\psi=\nabla\cdot(\psi^*\nabla\psi)-\nabla\psi^*\cdot\nabla\psi##
The integral of ##\nabla\cdot(\psi^*\nabla\psi)## over all space will be zero, since it's equivalent to integrating over a surface at infinity, and the wavefunction and its derivative go to zero as ##r\to\infty##.
 
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