Error bars and quadratically convergent methods for the numerical simulation of the Hartree-Fock equations

DOI10.1007/s002110100358zbMath1027.81043OpenAlexW1964580080MaRDI QIDQ1402136

Gabriel Turinici, Yvon Maday

Publication date: 21 August 2003

Published in: Numerische Mathematik (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s002110100358

zbMATH Keywords

a posteriori error analysiscomputational quantum chemistry

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) PDEs in connection with quantum mechanics (35Q40) Computational methods for problems pertaining to quantum theory (81-08) Perturbation theories for operators and differential equations in quantum theory (81Q15) Molecular physics (81V55) Error analysis and interval analysis (65G99)

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