## Communicated by H. Neunzert Wavelets on closed surfaces in Euclidean space 1 are introduced starting from a scale discrete wavelet transform for potentials harmonic down to a spherical boundary. Essential tools for approximation are integration formulas relating an integral over the sphere to s
Electron correlation theories and their application to the study of simple reaction potential surfaces
β Scribed by J. A. Pople; R. Krishnan; H. B. Schlegel; J. S. Binkley
- Publisher
- John Wiley and Sons
- Year
- 1978
- Tongue
- English
- Weight
- 648 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0020-7608
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π SIMILAR VOLUMES
## Abstract A stochastic method of optimization, which combines simulated annealing with simplex, is implemented to fit the parameters of a simple model potential. The main characteristic of the method is that it explores the whole space of the parameters of the model potential, and therefore it is
## Abstract A computational technique for solving the MP2 equations for periodic systems using a localβcorrelation approach and implemented in the CRYSCOR code is presented. The HartreeβFock solution provided by the CRYSTAL program is used as a reference. The motivations for the implementation of t