Compact formulae for three-center nuclear attraction integrals over exponential type functions

DOI10.1007/s10910-022-01362-7zbMath1498.81142arXiv1905.13537WikidataQ114225646 ScholiaQ114225646MaRDI QIDQ2157587

Hassan Safouhi, Richard Mikael Slevinsky

Publication date: 22 July 2022

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1905.13537

zbMATH Keywords

molecular structure calculations; Bessel functions; molecular integrals; exponential type functions; three-center nuclear attraction integrals

Mathematics Subject Classification ID

22E27: Representations of nilpotent and solvable Lie groups (special orbital integrals, non-type I representations, etc.)

33C10: Bessel and Airy functions, cylinder functions, ({}_0F_1)

81V55: Molecular physics

92E10: Molecular structure (graph-theoretic methods, methods of differential topology, etc.)