Timeline for How can we say that the KS equation is describing a noninteracting many-electron system?
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| Apr 12, 2021 at 17:30 | comment | added | Nike Dattani - No Free Time | @Jack , mt.huebsch: Nice to see so much conversation here. If the system recommends you to move to chat, please use an existing room such as [this one[(chat.stackexchange.com/rooms/119831/…) rather than clicking on the link which creates a new room. We would like to avoid this problem: meta.stackexchange.com/q/353643/391772 | |
| Apr 12, 2021 at 13:55 | comment | added | mt.huebsch | If you solve a particle in a box, you would not call this particle an interacting particle. Its state is described by a single-particle wavefunction. In the same way, DFT is a noninteracting theory even if there is a Hartree term, because the KS orbitals are single-particle wavefunctions. And yes, the Hartree term (and Fock term) are the first order correction if you expand the electron-electron interaction, so in that sense it is inherent. The difference to the KS system lies in the definition of the density, which must be expressed using the many-body wavefunction. | |
| Apr 9, 2021 at 6:22 | comment | added | Jack | The Hartree term is not inherited from the electron-electron Coulomb interaction term? [The Hartree term describes the interaction of one electron with the electron density.] How can we say this for the KS reference system if it is a noninteracting one? | |
| Apr 9, 2021 at 6:17 | history | edited | mt.huebsch | CC BY-SA 4.0 |
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| Apr 9, 2021 at 6:12 | comment | added | mt.huebsch | Maybe there is a missunderstanding. The Hartree term describes the interaction of one electron with the electron density. There is no Hartree term in the original Hamiltonian, but an electron-electron Coulomb interaction $U= \sum_{i,j}^N \frac{1}{|\vec{r}_i -\vec{r}_j|}$, with $i\neq j$. | |
| Apr 9, 2021 at 5:22 | comment | added | Jack | Thanks for your answer. I know that the exchange-correction potential contains the energy contribution described by (4) in your post, which of course includes many-body effects. But here I am only curious about the Hartree term, which is describing the interaction between two electrons, right? How can we talk about that for the noninteracting KS reference system? | |
| Apr 9, 2021 at 5:10 | history | edited | Jack | CC BY-SA 4.0 |
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| Apr 9, 2021 at 3:30 | history | edited | Nike Dattani - No Free Time | CC BY-SA 4.0 |
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| Apr 9, 2021 at 3:29 | history | answered | mt.huebsch | CC BY-SA 4.0 |