A quantum mechanical test of diophantine methods
β Scribed by S. A. Burdick
- Publisher
- John Wiley and Sons
- Year
- 1982
- Tongue
- English
- Weight
- 595 KB
- Volume
- 3
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
β¦ Synopsis
Abstract
A blend of Haselgrove's method and the biased selection method for evaluating multidimensional integrals was tested. The results were mixed. The error estimate varied from being proportional to 1/N when N was less than ca. 60,000 to being proportional to 1/βN when N was greater than 60,000. Also, for N greater than 60,000, the error estimate was oneβhalf the error estimate given by biased selection alone. These numbers should be compared with the 10,000 points used to find an optimum set of Haselgrove's parameters. It is reasonable to expect that if 100,000 points were used in the optimization of Haselgrove's parameters that the above results would be found with 60,000 replaced by 600,000.
π SIMILAR VOLUMES
A study or ihe Li-kCIH colEnear reaction has been carried OUL on a semi-empirical surrace in order to assess the suiiability ol this polentiai energy surface for further quantum-mechanical calculskions and Lo investiga;lle the reactive dynamics OF an nsymmewic exchange of a heavy atom.
Transition stati theory is tested against accurate rate constants for the colLLaear H + Ef P reaction oa a realistic potential energy surface. For this reaction the theory is fafrfy accurate at higti'temperatures but is very inaccurate at low temperatures.