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Updated: Feb 15, 2026

A Converging Strategy for the Generation of a Virtually Sequenced cDNA Library from Unreferenced Pacific Oysters
Published on: June 13, 2019
Converging many-body correlation energies by means of sequence extrapolation
J Segarra-Martí1, M Garavelli2, F Aquilante3
1Laboratoire de Chimie UMR 5182, ENS de Lyon, 46 Allée d'Italie, 69364 Lyon Cedex 07, France.
Abstract:
We present an extrapolation scheme for the correlation energy in many-body theory that requires only a relatively small fraction of the orbitals spanning the virtual space but recovers nearly the whole dynamic correlation energy, independently of the single- or multi-reference nature of the problem. Applications to both ground-state chemistry and photochemistry are discussed that clearly show how such an extrapolation scheme can be used to overcome the scaling walls in ab initio quantum chemistry arising from the sheer number of molecular orbitals needed for very accurate calculations.
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