Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. II: The Fourier transform method

DOI10.1107/s2053273319002535MaRDI QIDQ6547539

Anatoly F. Volkov, Daniel Nguyen

Publication date: 30 May 2024

Published in: Acta Crystallographica. Section A (Search for Journal in Brave)

zbMATH Keywords

Fourier transformelectrostatic interaction energycharge densitypseudoatom modelLöwdin \(\alpha\)-function

Mathematics Subject Classification ID

Applications of quantum theory to specific physical systems (81Vxx)

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