Pith. sign in

REVIEW

Not yet reviewed by Pith; the record is open.

This paper has not been read by Pith yet. Machine review is queued; the pith claim, tier, and objections will appear here once it completes.

SPECIMEN: schema-true, not a live event

T0 review · schema-true

One-sentence machine reading of the paper's core claim.

pith:XXXXXXXX · record.json · timestamp

arxiv 1710.01004 v1 pith:LNVDI7BF submitted 2017-10-03 physics.chem-ph

Lowering of the complexity of quantum chemistry methods by choice of representation

classification physics.chem-ph
keywords chemistryclustermathcalmethodsquantumtheorychoicecomplexity
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
0 comments
read the original abstract

The complexity of the standard hierarchy of quantum chemistry methods is not invariant to the choice of representation. This work explores how the scaling of common quantum chemistry methods can be reduced using real-space, momentum-space, and time-dependent intermediate representations without introducing approximations. We find the scalings of exact Gaussian basis Hartree--Fock theory, second-order M{\o}ller-Plesset perturbation theory, and coupled cluster theory (specifically, linearized coupled cluster doubles and the distinguishable cluster approximation with doubles) to be $\mathcal{O}(N^3)$, $\mathcal{O}(N^3)$, and $\mathcal{O}(N^5)$ respectively, where $N$ denotes system size. These scalings are not asymptotic and hold over all ranges of $N$.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.