Stable numerical methods of approaching quantum mechanical molecular force fields to experimental data

DOI10.1007/978-1-4614-7816-4_10MaRDI QIDQ2863541zbMATHOpenAlexFDO

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

Publication date 22 November 2013

Published in Applied Inverse Problems (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-1-4614-7816-4_10

Mathematics Subject Classification ID

Nonlinear resonances for nonlinear problems in mechanics (70K30) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

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• Inverse problems of vibrational spectroscopy. Transl. from the Russian

Cites work

• scientific article; zbMATH DE number 3878255 (Why is no real title available?)
• scientific article; zbMATH DE number 3954180 (Why is no real title available?)
• scientific article; zbMATH DE number 51316 (Why is no real title available?)
• scientific article; zbMATH DE number 702316 (Why is no real title available?)
• scientific article; zbMATH DE number 3008272 (Why is no real title available?)
• scientific article; zbMATH DE number 879844 (Why is no real title available?)
• scientific article; zbMATH DE number 936298 (Why is no real title available?)
• scientific article; zbMATH DE number 3415306 (Why is no real title available?)
• Can an ill-posed problem be solved if the data error is unknown?
• Ill-posed problems with a priori information
• Inverse problems of vibrational spectroscopy. Transl. from the Russian
• On the choice of regularization parameter when solving ill-posed problems in reflexive spaces
• Stable numerical methods of solving certain inverse problems of vibrational spectroscopy

Cited in

(4)

• Stable numerical methods for determination of the molecular clusters force fields
• Interpretation of spectroscopic data from the iodine molecule using a genetic algorithm
• Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation
• Numerical aspects of the calculation of molecular force fields from experimental data

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