Question
A split-valence “def2” group of these entities going up to radon was developed at the Karlsruhe Institute of Technology. For 10 points each:
[10e] Name these sets of functions that are used to represent the electronic wave function in DFT. They are constructed with orbitals named for Slater or Gauss in the LCAO method.
ANSWER: basis sets [or bases; or basis functions]
[10h] While the radial part of Gaussian orbitals contains the term “e to the negative-alpha-times-r-squared,” in Slater-type orbitals the exponent is this function of the electron distance r and another variable.
ANSWER: negative effective charge-times-r [reject partial answers; reject answers with an operation other than times; accept minus in place of “negative”; accept effective nuclear charge or Z-effective in place of “effective charge”; prompt on zeta in place of “effective charge” by asking “what quantity does zeta represent?”]
[10m] This term refers to individual functions that make up a basis set. The “N” in N-MPG* notation is the number of these functions used for each inner-shell orbital.
ANSWER: primitive functions [prompt on single Gaussian functions]
<KP, Chemistry>
Data
Summary
| Tournament | Edition | Exact Match? | Heard | PPB | Easy % | Medium % | Hard % |
|---|---|---|---|---|---|---|---|
| 2024 Chicago Open | 07/28/2024 | Y | 15 | 6.00 | 53% | 7% | 0% |