Stable numerical methods of solving certain inverse problems of vibrational spectroscopy

DOI10.1016/0041-5553(87)90187-XMaRDI QIDQ3814742zbMATH OpenOpenAlexFDO

Authors Gulnara M. Kuramshina, A. G. Yagola, Igor V. Kochikov

Publication date 1987

Published in USSR Computational Mathematics and Mathematical Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/0041-5553(87)90187-x

zbMATH Keywords

algorithmsforce field parametersgeneralized residual principleill-posed probleminverse problemstabilityTikhonov's regularizationvibrational spectroscopy

Mathematics Subject Classification ID

Partial differential equations of mathematical physics and other areas of application (35Q99) Inverse problems for PDEs (35R30) Numerical solutions to equations with nonlinear operators (65J15) Applications to the sciences (65Z05) Molecular physics (81V55)

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Cited in

(6)

• Inverse problems of vibrational spectroscopy as nonlinear ill-posed problems
• Numerical solution methods for inverse problems of Mössbauer spectroscopy
• Stable numerical methods for determination of the molecular clusters force fields
• Stable numerical methods of approaching quantum mechanical molecular force fields to experimental data
• An stable approach to a kind of problems involving the inversion of a Volterra integral equation of the first kind: application to x-ray fluorescence analysis
• Regularized ab initio molecular force fields for key biological molecules: melatonin and pyridoxal-5′-phosphate methylamine Shiff base (Vitamin B6)

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