notesum.ai

Published at November 6

cs.LG

cs.CE

quant-ph

Released Date: November 6, 2024

Authors: Oliver Knitter¹, Dan Zhao², James Stokes¹, Martin Ganahl³, Stefan Leichenauer³, Shravan Veerapaneni¹

Aff.: ¹University of Michigan; ²New York University; ³SandboxAQ

Molecule	$n_{\text{qubits}}$	$N_{E}$	Paulis	CCSD	MADE	Transformer	RetNet	FCI
H₂O	14	10	1390	$-75.0154$	$-\textbf{75.0155}$	$-\textbf{75.0155}$	$-\textbf{75.0155}$	$-75.0155$
N₂	20	14	2591	$-107.6560$	$-107.6598$	$-\textbf{107.6599}$	$-\textbf{107.6599}$	$-107.6602$
O₂	20	16	2879	$-147.7477$	$-\textbf{147.7502}$	$-\textbf{147.7502}$	$-\textbf{147.7502}$	$-147.7502$
H₂S	22	18	9558	$-394.3546$	$-394.3543$	$-\textbf{394.3545}$	$-394.3544$	$-394.3546$
PH₃	24	18	24369	$-338.6982$	$-338.6970$	$-\textbf{338.6971}$	$-338.6968$	$-338.6984$
LiCl	28	20	24255	$-460.8476$	$-460.8490$	$-460.8492$	$-\textbf{460.8493}$	$-460.8496$
Li₂O	30	14	20558	$-87.8855$	$-87.8668$	$-87.8817$	$-\textbf{87.8848}$	$-87.8927$