Storage management strategies in large-scale quantum dynamics calculations David W. SchwenkeKenneth HaugDonald J. Kouri OriginalPaper Pages: 237 - 251
A vectorizable potential energy functional for reactive scattering Ernesto GarciaLuigi CiccarelliAntonio Laganà OriginalPaper Pages: 253 - 264
The use of supercomputers for the variational calculation of ro-vibrationally excited states of floppy molecules Brian T. SutcliffeJonathan TennysonSteven Miller OriginalPaper Pages: 265 - 276
Problems and prospects in the ab initio treatment of pure and defective crystals Cesare PisaniRoberto Dovesi OriginalPaper Pages: 277 - 289
Application of a parallel computer system to polymer calculations M. BishopD. LoganJ. P. J. Michels OriginalPaper Pages: 291 - 295
Energy optimized Gaussian basis sets for the atoms Tl-Rn Knut Faegri Jr. OriginalPaper Pages: 297 - 301
Multi-reference-state perturbation theory for computation of potential-energy surfaces Gabriel Hose OriginalPaper Pages: 303 - 318
A comparison of techniques for embedding defect cluster calculations A. J. Fisher OriginalPaper Pages: 319 - 324
On the computation of molecular electronic affinities Juan J. NovoaFernando MotaAna C. Ramirez OriginalPaper Pages: 325 - 331