Описание:The course consists of 7 lectures presenting foundations of the modern approaches to solving inverse problems arising in vibrational spectra data processing and includes:
- Classical theory of small vibrations.
- Molecular force fields and experimental sources of information. Mathematical model of molecular vibrations. Formulation of inverse vibrational problem.
- Generalized coordinates in normal coordinate analysis.
- Regularizing algorithm. Non-linear ill-posed problems.
- Regularizing algorithm for solving the inverse vibrational problem.
- Constraints on the values of force constants based on quantum mechanical calculations
- Generalized inverse structural problem. Computer implementation.
в Технический университет Чалмеш и Гетеборгский университет (CTH/GU), Гетеборг, Швеция (другое (организация образования, фонды, некоммерческие организации), университет, Швеция)
обязательная, по выбору (спецкурс), лекции, 36 часов