Question

Donald Truhlar deliberately misunderstood the “aug-” (“A-U-G”) label for these mathematical expressions to build a calendar of them prefixed “jun-” (“june”) and “jul-” (“juul”). The popular def2 set of these expressions (-5[1])are collectively named for the city of Karlsruhe (10[2])(“KARLS-roo-uh”). When the primitives (10[1])in contracted examples of these expressions overlap, an eigen·value problem is solved using the Roothaan (“ROH-tawn”)–Hall algorithm. These formulas are most accurate when the radial terms are written as “r times e to the negative zeta (10[1])r,” but they are much easier to work with if the exponential is “negative zeta r squared.” (10[1])Modern examples of these expressions (-5[1])like 6-31G* (10[1])(“six dash thirty-one G star”) include (-5[1])polarization functions to account for electronic correlation. (10[2])Coefficients in these expressions are computed through variational methods (-5[1])like Hartree–Fock. (10[1]-5[4])For 10 points, name these combinations of atomic (-5[1])or Slater-type (-5[2])orbitals (-5[1])that span (-5[1])the space of molecular wavefunctions. (10[1])■END■ (10[1]0[7])

ANSWER: basis sets [or bases; or basis functions; or molecular basis; prompt on wavefunctions; prompt on molecular orbitals or MOs; prompt on atomic orbitals or AOs until “orbitals” is read; prompt on Gaussian-type orbitals, Slater-type orbitals, GTOs, or STOs until “Slater-type” is read; prompt on Slater determinants; prompt on linear combinations of atomic orbitals or LCAOs; reject “functionals”]
<Chemistry>
= Average correct buzz position

Back to tossups

Summary

2023 ACF Nationals04/22/2023Y2250%0%59%87.55

Buzzes

PlayerTeamOpponentBuzz PositionValue
Ethan AshbrookMinnesota ANorthwestern A27-5
Vittal BhatNorth Carolina AMIT A3510
Daniel SheinbergYale ACornell A3510
Nikhil ChellamNorthwestern AMinnesota A3810
Connor BlakeChicago CToronto A7310
Vivek SasseChicago BGeorgia Tech A9010
Dan NiCornell BColumbia A95-5
Isak JatoiSouth Carolina ARutgers A9710
Tim MorrisonStanford AMaryland A98-5
Leah HonsingerFlorida AChicago A10510
Jason HongBrown AOhio State A10510
Kevin YeUC Berkeley BMinnesota B114-5
JD KrothIowa State AMcGill A116-5
S. A. ShenoyGeorgia Tech BWUSTL B116-5
Karan GurazadaTexas AUC Berkeley A11610
Matt SchiavonePurdue AFlorida B116-5
Andrew HannaVanderbilt AColumbia B116-5
David BassVirginia AIllinois A124-5
Maximillian NieburJohns Hopkins AMichigan A126-5
Ashish SubramanianDuke AWUSTL A126-5
Arjun NageswaranHarvard AIndiana A127-5
Alan XieYale BPenn State A129-5
Caleb KendrickMaryland AStanford A13410
Jacob Van OorschotMcGill AIowa State A1350
Ani PerumallaPenn State AYale B13510
Alex AkridgeIndiana AHarvard A1350
Lexi TermanRutgers BImperial A1350
Carlos DoebeliImperial ARutgers B1350
Todd MaslykMichigan AJohns Hopkins A1350
Forrest WeintraubColumbia BVanderbilt A1350
Matthew LehmannWUSTL ADuke A1350