Timeline for Correlation energy in quantum chemistry
Current License: CC BY-SA 4.0
9 events
| when toggle format | what | by | license | comment | |
|---|---|---|---|---|---|
| Feb 5, 2019 at 5:28 | vote | accept | Stanislav | ||
| Feb 2, 2019 at 9:43 | answer | added | Feodoran | timeline score: 5 | |
| Feb 2, 2019 at 1:05 | history | edited | A.K. |
edited tags
|
|
| Feb 2, 2019 at 0:58 | history | edited | A.K. | CC BY-SA 4.0 |
added 28 characters in body
|
| Feb 2, 2019 at 0:05 | review | First posts | |||
| Feb 2, 2019 at 0:58 | |||||
| Jan 16, 2019 at 16:42 | comment | added | Tyberius♦ | The correlation is due to e-e repulsion. However the Coulomb energy is generally used to refer to the energy based on the average effect of the electrons repelling each other. | |
| Jan 16, 2019 at 16:30 | comment | added | Stanislav | But hence why we cannot consider that correlated motion via only Coulomb interaction? Coulomb repulsion doesn't really include that correlated motion? | |
| Jan 16, 2019 at 16:21 | comment | added | Tyberius♦ | I would say its not the correlation energy which is nonclassical, since it is just a consequence of the motion of the electrons being correlated. What is nonclassical is the exchange energy (which is often lumped together with the correlation in DFT). The exchange energy is nonclassical because it is Coulomb like, but only arises due to the fact that electrons are fermions (i.e. that their wavefunction is antisymmetric with respect to exchange of particle labels). @Stanislav | |
| Jan 16, 2019 at 11:18 | history | asked | Stanislav | CC BY-SA 4.0 |