Density- and wavefunction-normalized Cartesian spherical harmonics forl≤ 20

DOI10.1107/S2053273314024838zbMath1353.42019WikidataQ38366426 ScholiaQ38366426MaRDI QIDQ2810244

Unnamed Author, J. Robert Michael

Publication date: 1 June 2016

Published in: Acta Crystallographica Section A Foundations and Advances (Search for Journal in Brave)

zbMATH Keywords

spherical harmonicscharge densitypseudoatom model

Mathematics Subject Classification ID

Harmonic analysis in several variables (42B99) Spherical harmonics (33C55) Numerical methods in Fourier analysis (65T99) Software, source code, etc. for problems pertaining to special functions (33-04) Software, source code, etc. for problems pertaining to harmonic analysis on Euclidean spaces (42-04)

Related Items (1)

Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. I. The Löwdin α-function method

Uses Software

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Cites Work

• Rotation matrices for real spherical harmonics: general rotations of atomic orbitals in space-fixed axes
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