Generalization of the Hylleraas functional for calculating BSSE-free intermolecular interactions: further considerations

DOI10.1023/A:1018860814467zbMath1032.92041OpenAlexW329694934MaRDI QIDQ5934330

Á. Vibók

Publication date: 19 June 2001

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

Full work available at URL: https://doi.org/10.1023/a:1018860814467

zbMATH Keywords

perturbation theorybasis set superposition errorHylleraas functional

Mathematics Subject Classification ID

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

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