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 are collectively named for the city of Karlsruhe (“KARLS-roo-uh”). When the primitives 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 r,” but they are much easier to work with if the exponential is “negative zeta r squared.” Modern examples of these expressions like 6-31G* (“six dash thirty-one G star”) include polarization functions to account for electronic correlation. Coefficients in these expressions are computed through variational methods like Hartree–Fock. For 10 points, name these combinations of atomic or Slater-type orbitals that span the space of molecular wavefunctions. ■END■
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