electron density - 2024 ACF Fall

Question

Kato’s theorem states that this quantity exhibits a cusp at the location of the nucleus. For 10 points each:

[10h] Name this quantity, which uniquely specifies an atom’s ground-state properties per the first Hohenberg-Kohn theorem. A common computational chemistry approach involves solving for functionals of this quantity.

ANSWER: electron density [accept density functional theory; prompt on DFT]

[10e] A brute-force approach to DFT involves not using the molecular type of these constructs. The atomic type of these constructs specify the location of an electron in “shells” around the nucleus and come in s, p, d, and f types.

ANSWER: orbitals [accept atomic orbitals or molecular orbitals; reject “orbit(s)”]

[10m] To explain the symmetric structure of methane, Linus Pauling posited this phenomenon, where orbitals mix to create symmetric bonds by forming namesake sp and sp2 orbitals.

ANSWER: orbital hybridization [or hybridized orbitals or hybrid orbitals]

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Summary


2024 ACF Fall at Cornell	fall	Y	9	14.44	100%	44%	0%
2024 ACF Fall at Ohio State	fall	Y	8	20.00	100%	100%	0%
2024 ACF Fall at Washington	fall	Y	6	16.67	100%	67%	0%
2024 ACF Fall at Georgia	fall	Y	12	13.33	75%	50%	8%
2024 ACF Fall at North Carolina	fall	Y	9	18.89	100%	89%	0%
2024 ACF Fall at Claremont Colleges	fall	Y	4	15.00	75%	75%	0%
2024 ACF Fall at Rutgers	fall	Y	8	21.25	100%	88%	25%
2024 ACF Fall at Illinois	fall	Y	9	20.00	100%	89%	11%

Data


Michigan C	Miami B (UG)	0	10	10	20
Jefferson County Scholars (DII)	Miami C (DII)	0	10	10	20
Alberta	Boise State	0	10	10	20
James Madison A	James Madison B	0	10	10	20
Virginia Tech A	Liberty C	0	10	10	20
Maryland B (DII)	Bard A (UG)	0	10	10	20
Columbia A (UG)	Penn B (DII)	10	10	10	30
Columbia B	Lehigh A (UG)	0	10	10	20
Fordham A	Princeton A (UG)	0	10	0	10
Binghamton A	ESF	0	10	10	20
Syracuse	Binghamton B	0	10	0	10
Cornell A	RIT C	0	10	0	10
Cornell C	Cornell F	0	10	10	20
Cornell E	Cornell B	0	10	0	10
Cornell D	Cornell G	0	10	10	20
RIT B	Penn State	0	10	0	10
RIT A	U of Rochester A	0	10	0	10
U of Rochester B	Binghamton C	0	10	10	20
Auburn B	Alabama A	0	10	0	10
Auburn C	Georgia A	0	10	10	20
Belmont	Emory Oxford	0	10	0	10
Mississippi State A	Furman	0	10	0	10
Mississippi State A	Furman	0	10	0	10
Mississippi State A	Furman	0	10	0	10
Mississippi State A	Furman	0	10	0	10
Mississippi State A	Furman	0	10	0	10
Mississippi State A	Furman	0	10	0	10
Mississippi State A	Furman	0	10	0	10
Mississippi State A	Furman	0	10	0	10
Clemson A	Georgia Tech A	0	10	0	10
Georgia Tech E	Georgia Tech B	0	0	10	10
Georgia Tech C	Emory Oxford	10	10	0	20
Georgia Tech D	South Carolina B	0	10	10	20
Clemson B	South Carolina A	0	0	10	10
Auburn A	Tennessee B	0	10	10	20
Vanderbilt B	Vanderbilt A	0	0	10	10
Claremont A	UCLA C	0	10	10	20
UCLA A	UCLA D	0	10	10	20
UCLA B	Claremont C	0	0	0	0
UCSD	Claremont B	0	10	10	20
Illinois A	Chicago B	0	10	10	20
Purdue C	Illinois C	0	10	10	20
Indiana	Notre Dame C	0	10	0	10
Iowa A	Illinois D	0	10	10	20
Northwestern A	Iowa B	0	10	10	20
WashU A	Northwestern B	0	10	10	20
Notre Dame A	WashU B	0	10	10	20
Notre Dame B	SIUE	0	10	10	20
Purdue B	Illinois B	10	10	10	30
Michigan B (UG)	CWRU B (DII)	0	10	10	20
Miami A (UG)	CWRU C (UG)	0	10	10	20
West Virginia A (UG)	Michigan State B	0	10	10	20
Ohio State A (UG)	Michigan D (UG)	0	10	10	20
Michigan State A	Ohio State B (DII)	0	10	10	20
Ohio State C (DII)	West Virginia B (UG)	0	10	10	20
UW Pride	Arizona State A	0	10	0	10
Arizona State B	UBC A	0	10	10	20
UW Chastity	UW Lust	0	10	10	20
UW Wrath	UW Envy	0	10	10	20
UW Greed	UW Sloth	0	10	0	10
Tusculum	Appalachian State B	0	10	10	20
Duke A	William & Mary	0	10	10	20
NC State	Appalachian State A	0	10	10	20
Liberty B	UNC A	0	10	0	10
UNC C	Duke B	0	10	10	20
VCU	Virginia	0	10	10	20
Virginia Tech B	UNC D	0	10	10	20
Maryland A (DII)	Penn A (DII)	0	10	10	20
Columbia J (DII)	NYU A (UG)	10	10	10	30
Rutgers A (UG)	Rowan A (DII)	0	10	10	20
Rutgers B	NYU B	0	10	10	20