By N. A. Schclar

Discusses the boundary point strategy utilized to third-dimensional anisotropic elasticity and contains examples to teach the flexibility of BEM. starting with a primary concept of elastostatics, this identify covers ways resembling the twin reciprocity approach and numerical integration.

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McCormack, J. M. Milligan, C. Cornaggia, and E. E. Eyler Phys. Rev. A S9, 2260 (1990). L. Wolniewicz, J. Chem. Phys. 99, 1851 (1993). A. Balakrishnan, V. Smith, and B. Stoicheff, Phys. Rev. Lett. 88, 2149 (1992). S. F. Boys, G. B. Cook, C. M. Reeves, and I. Shavitt, Nature 178,1207 (1956). B. Liu, J. Chem. Phys. 58, 1925 (1973). B. Liu, J. Chem. Phys. 80,581 (1984). E. Clementi, G. Corongiu, D. Bahattacharya, B. Feuston, D. Frye, A. Preiskom, A. Rizzo, and W. Xue, Chem. Rev. 91, 679 (1991). R. A.

Phys. Lett. 44, 5 (1976). W. N. Hardy, M. Morrow, R. Jochemson, B. W. Statt, P. R. Kubik, R. M. Marsolais, A. J. Berlinsky, and A. Landesman, Phys. Rev. Lett. 45, 453 (1980). R. Jochemson, A. J. Berlinsky, and W. N. Hardy, Can. J. Phys. 62, 751 (1984). G. Das, A. F. Wagner, and A. C. Wahl, J. Chem. Phys. 88,4917 (1978). Achieving Chemical Accuracy with Coupled-Cluster Theory Timothy J. Lee NASA Ames Research Center, Moffett Field, Califomia 94035-1000 and Gustavo E. Scuseria Department of Chemistry and Rice Quantum Institute, Rice University, Houston, Texas 77~51-189~ August-1994 Abstract Due to formal and computational advances in coupled-cluster theory over the past few years, it is now possible to obtain very accurate molecular geometries, vibrational frequencies, heats offormation, binding energies, and vertical electronic excitation energies.

41), to have equal absolute values of the quantity Wi'PTi rather than equal weights. The division of psips in regions of high absolute values of 'PT has the additional advantage of a tendency to equalize these quantities. Thus, we have found it useful in promoting cancellation and in reducing statistical error to 'split and kill' psips to produce approximately equal absolute values of Wi'P'Ti' An additional effect of small step sizes produced by more negative values of E is a greater serial correlation of psip positions and local energies.

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