Paper detail

Many-body quantum chemistry for the electron gas: convergent perturbative theories

We investigate the accuracy of a number of wavefunction based methods at the heart of quantum chemistry for metallic systems. Using Hartree-Fock as a reference, perturbative (Møller-Plesset, MP) and coupled cluster (CC) theories are used to study the uniform electron gas model. Our findings suggest that non-perturbative coupled cluster theories are acceptable for modelling electronic interactions in metals whilst perturbative coupled cluster theories are not. Using screened interactions, we propose a simple modification to the widely-used coupled-cluster singles and doubles plus perturbative triples method (CCSD(T)) that lifts the divergent behaviour and is shown to give very accurate correlation energies for the homogeneous electron gas.

preprint2013arXivOpen access

Signal facts

What is known right now

Open access2 authors4 topics

Next steps

Decide what to do with this paper

Use like or dislike for the fast social read. The more specific scholarly feedback stays available below when needed.

Log in to curate

Reading frame

Keep the important context close to the paper

Keep the important signals around this paper in one place: votes, save state, collection context, reviews and the metadata you need before deciding what to do next.

Institutions

Add specific reaction

Move through the context

Research map

Open full explorer

Move through nearby people, institutions, topics and adjacent work without leaving the paper page.

Building this map preview

BZPEER is loading the nearby papers, people, topics and institutions for this page.

Structured reviews

0 review(s)

ContributeLeave structured feedbackUse the review template when you have a concrete strength, concern or method question.Open review form

No structured reviews yet. High-signal critique starts here.

Work discussion

0 comment(s)

DiscussAdd a high-signal commentKeep quick notes, caveats and replication pointers separate from formal reviews.Open comment form

No discussion yet. The first strong comment sets the tone.