Question
Solutions to this density functional theory’s equations reproduce a much more exact estimate of the kinetic energy than given by the Thomas-Fermi model. For 10 points each:
[10m] Name this doubly-eponymous theory that considers a system of fictitious non-interacting electrons with the same density. The potential describing this DFT is unique by a theorem named for its first namesake and Hohenberg.
ANSWER: Kohn-Sham theory [or Kohn-Sham equations; or Kohn-Sham potential]
[10e] In practice, Kohn-Sham calculations are often performed on densities separated by this quantity, because systems in collinear magnetic fields can be modeled. This quantity is the intrinsic angular momentum of a particle.
ANSWER: electron spin
[10h] Two answers required. Kohn-Sham spin DFT calculations can break down at a point named for these two scientists, where the spin-densities become completely polarized. These two scientists name an ansatz that forms the basis of a “third way” of quantum chemistry that competes with valence bond theory and molecular orbital theory.
ANSWER: Charles Alfred Coulson AND Inga Fischer-Hjalmars [accept Coulson-Fischer point or theory]
<Science - Chemistry>
Summary
| 2024 ARGOS @ Chicago | 11/23/2024 | Y | 1 | 20.00 | 100% | 100% | 0% |
Data
| BHSU Rebirth | BHSU ReFantazio | 10 | 10 | 0 | 20 |