How to spoil a good basis set for Rayleigh-Ritz calculations

DOI10.1063/1.4817594MaRDI QIDQ5407623zbMATH OpenOpenAlexFDO

Authors Vladimir I. Pupyshev, H. E. jun. Montgomery

Publication date 7 April 2014

Published in Journal of Mathematical Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1063/1.4817594

Mathematics Subject Classification ID

Variational principles of physics (49S05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10)

Recommendations

• The Origin of the Logic of Symbolic Mathematics. Edmund Husserl and Jacob Klein
• The optimized Rayleigh–Ritz scheme for determining the quantum-mechanical spectrum
• A moment equation reformulation of Rayleigh - Ritz theory
• Ideal basis sets for the Dirac Coulomb problem: Eigenvalue bounds and convergence proofs
• Variational method using basis functions

Cites work

• Fundamental Properties of Hamiltonian Operators of Schrodinger Type
• scientific article; zbMATH DE number 3138903 (Why is no real title available?)
• scientific article; zbMATH DE number 3239038 (Why is no real title available?)
• scientific article; zbMATH DE number 3285978 (Why is no real title available?)
• scientific article; zbMATH DE number 3081880 (Why is no real title available?)
• Numerical recipes. The art of scientific computing.

Cited in

(3)

• The optimized Rayleigh–Ritz scheme for determining the quantum-mechanical spectrum
• The Origin of the Logic of Symbolic Mathematics. Edmund Husserl and Jacob Klein
• On basis set optimisation in quantum chemistry

This page was built for publication: How to spoil a good basis set for Rayleigh-Ritz calculations

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q5407623)