Symposium on computational quantum chemistry and parallel processors Sigeru HuzinagaMariusz Klobukowski Report Pages: 89 - 90
Parallel computation of molecular energy gradients on the loosely coupled array of processors (LCAP) M. DupuisJ. D. Watts OriginalPaper Pages: 91 - 103
Strategies for obtaining the maximum performance from current supercomputers Peter R. TaylorCharles W. Bauschlicher Jr. OriginalPaper Pages: 105 - 115
Computational chemistry on the FPS-X64 scientific computers Martyn F. GuestRobert J. HarrisonLambertus C. H. van Corler OriginalPaper Pages: 117 - 148
Tables of accurate STF HF wavefunctions from B to Ca Masahiro SekiyaHiroshi Tatewaki OriginalPaper Pages: 149 - 167
Extracting more than a few eigenvectors from a dense real symmetric matrix: Optimal algorithms versus the architectural constraints of the FPS-X64 Stephen T. Elbert OriginalPaper Pages: 169 - 186
A multireference direct CI program based on the symmetric group graphical approach Włodzisław DuchJacek Karwowski OriginalPaper Pages: 187 - 199
Exponentially generated wave functions and excited states of benzene Hiroshi Nakatsuji OriginalPaper Pages: 201 - 229
Ab initio SCF studies of the molecular structure of XeF6, IF 6 − , and TeF 6 2− in non-octahedral geometries M. KlobukowskiS. HuzinagaZ. Barandiarán OriginalPaper Pages: 237 - 245