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Accelerating Analytic-Continuation GW Calculations with a Laplace Transformation and Natural Auxiliary Functions

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Johannes Tölle, Niklas Niemeyer, Johannes Neugebauer

Chemical Physics · Submitted 10 Jul 2023

abstract compiled · 2026-09-23 · no language-model review

The authors' main claim The LT-GW approach combines three major benefits: (a) a small prefactor for the computational scaling, (b) easy integration into existing molecular GW implementations, and (c) significant performance improvements for a wide range of possible applications.

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arXiv ID2307.04508 (version 2)
Pith IDFMQ35O3B, Pith's permanent record of this paper and its review
CitationJohannes Neugebauer, Johannes T\"olle, Niklas Niemeyer. "Accelerating Analytic-Continuation GW Calculations with a Laplace Transformation and Natural Auxiliary Functions." arXiv:2307.04508 (2023). https://pith.science/paper/FMQ35O3B
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The paper's own sentences, arranged. Each label is drawn from a closed vocabulary; the number beside it is the probability the classifier gave that label. Numbers in the tables are the authors', checked by code. No sentence in this record was written by a model.

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Compiled by classifier-1.13.0 via TypeSafe API, question bank abstract-p1-20260923, 2026-09-23: 1 request, 3,079 input tokens.

What the abstract itself states, as probabilities: claims first 0.04 · states limitation 0.06 · human participants 0.02 · controlled comparison 0.06 · randomized assignment 0.01 · states quantitative result 0.72 · compares with prior results 0.17 · mentions code or data availability 0.03.

The abstract, sentence by sentence

arXiv listing abstract v2. Results and the main claim are underlined; .

We present a simple and accurate GW implementation based on a combination of a Laplace transformation (LT) and other acceleration techniques used in post-SCF quantum chemistry, namely, natural auxiliary functions and the frozen-core approximation. The LT-GW approach combines three major benefits: (a) a small prefactor for the computational scaling, (b) easy integration into existing molecular GW implementations, and (c) significant performance improvements for a wide range of possible applications. Illustrating these advantages for systems consisting of up to 352 atoms and 7412 basis functions, we further demonstrate the benefits of this approach combined with an efficient implementation of the Bethe-Salpeter equation.

background contribution method result interpretation main claim

What the classifier reports for each sentence. The number is the probability it gave the label.
#sentencerolethe authors' own workstates the main conclusionstrength
s0 We present a simple and accurate GW implementation based on a combination of a Laplace transformation (LT) and other acceleration techniques used in post-SCF quantum chemistry, namely, natural auxiliary functions and the frozen-core approximation. contribution 0.80 0.93 0.30 asserted 1.00
s1 The LT-GW approach combines three major benefits: (a) a small prefactor for the computational scaling, (b) easy integration into existing molecular GW implementations, and (c) significant performance improvements for a wide range of possible applications. contribution 0.56 0.74 0.46 asserted 1.00
s2 Illustrating these advantages for systems consisting of up to 352 atoms and 7412 basis functions, we further demonstrate the benefits of this approach combined with an efficient implementation of the Bethe-Salpeter equation. result 0.74 0.93 0.16 asserted 1.00

What kind of paper the classifier reports this is: method or tool 1.00 · evidence from simulation or computation 1.00.

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Every quoted sentence on this record is the authors'. Every label is from Pith's closed vocabulary, with the probability shown beside it. Every number in the measurements table is the authors', checked by code. Record as JSON

The paper
Original abstract

We present a simple and accurate GW implementation based on a combination of a Laplace transformation (LT) and other acceleration techniques used in post-SCF quantum chemistry, namely, natural auxiliary functions and the frozen-core approximation. The LT-GW approach combines three major benefits: (a) a small prefactor for the computational scaling, (b) easy integration into existing molecular GW implementations, and (c) significant performance improvements for a wide range of possible applications. Illustrating these advantages for systems consisting of up to 352 atoms and 7412 basis functions, we further demonstrate the benefits of this approach combined with an efficient implementation of the Bethe-Salpeter equation.

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