Mathematical problems of nuclear configuration averaging

DOI10.1023/A:1015127811798zbMath1007.81074OpenAlexW1526251900MaRDI QIDQ1600670

Paul G. Mezey, Zsolt Szekeres

Publication date: 16 June 2002

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

Full work available at URL: https://doi.org/10.1023/a:1015127811798

zbMATH Keywords

shape similarityelectron density averagingsmall amplitude vibrationsactive conformationconformational deformationsshape complementarityunion surfaces

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Many-body theory; quantum Hall effect (81V70) Molecular physics (81V55)

Related Items (1)

Charge-conserving electron density averaging for a set of nuclear configurations

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