A Monte Carlo error estimator for the expansion of rigid-rotor potential energy surfaces

DOI10.1007/S10910-011-9821-8zbMATH Open1244.92074OpenAlexW2045580169MaRDI QIDQ431986FDOQ431986

Authors: Claire Rist, Alexandre Faure 

Publication date: 3 July 2012

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

Full work available at URL: https://doi.org/10.1007/s10910-011-9821-8

Recommendations

• scientific article; zbMATH DE number 2009825
• Importance sampling in rigid body diffusion Monte Carlo
• scientific article; zbMATH DE number 17217
• Collisional energy transfer with statistical energy exchange: an analytical solution in the statistical limit
• Global fit of ab initio potential energy surfaces. I: Triatomic systems

zbMATH Keywords

potential energy surfaceangular expansionMonte Carlo theoremrotational energy transfer

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Chemistry (92E99) Molecular physics (81V55) Astronomy and astrophysics (85A99)

Cites Work

• Title not available (Why is that?)

Cited In (1)

• Entropy and complexity analysis of the \(D\)-dimensional rigid rotator and hyperspherical harmonics

This page was built for publication: A Monte Carlo error estimator for the expansion of rigid-rotor potential energy surfaces

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q431986)