Least-squares fitting of EPR spectra by Monte Carlo methods
β Scribed by Burkhard Kirste
- Publisher
- Elsevier Science
- Year
- 1987
- Weight
- 750 KB
- Volume
- 73
- Category
- Article
- ISSN
- 0022-2364
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π SIMILAR VOLUMES
The determination of accurate uncertainties in spectroscopic constants obtained from experimental spectra is critical for a correct interpretation of the results. In this paper we examine the validity of using the covariance matrix obtained from a least-squares fitting routine as a means of error es
The sampling of the exact solution of the Schrodinger equation by quantum Monte Carlo methods allows one to solve the problem of the optimization of linear and nonlinear parameters of a trial wave function by minimization of the distance to the exact wave function in Hilbert space even for those sys
The importance ~mpling method is applied to the least SXJUZIXS solution of the Schrtidinger equation, using the sphericaS facssian orbital to sekct points. Application to the helium atom gives good results with relatively few points.