Computer programs COLUMBUS

Three computer programs used in this study were COED, RSM, and PERSM. These programs are presently being marketed through CompuServe, Inc., of Columbus, Ohio. [Pg.92]

Although several computer programs have been implemented and developed in a similar line, little attention has been paid to the efficiency in actual computations, especially on vector-oriented computers. We have recently extended and reorganized the COLUMBUS direct Cl program package to carry out large scale spin-orbit Cl calculations. Numerical calculations reported in Section 3 have been carried out with this program. [Pg.53]

H. Dachsel, R. Shepard, J. Nieplocha, and R. J. Harrison,/. Comput. Chem., 18,430 (1997). A Massively Parallel Multireference Configuration Interaction Program The Parallel COLUMBUS Program. [Pg.144]

Peter W. Swaan Division cf Pharmaceutics Qib State Biophysics Program OSU Heart Lung Institute Core Laboratory for Bioinformatics and Computational Biology The Ohio State University Columbus, Ohio... [Pg.249]

Keywords Computational chemistry history Isaiah Shavitt Configuration interaction Electron correlation Graphical Unitary Group Approach COLUMBUS Programs... [Pg.9]

H. Lischka, T. Muller, P. G. Szalay, I. Shavitt, R. M. Pitzer, and R. Shepard, COLUMBUS-A Program System for Advanced Multireference Theory Calculations, in Wiley Interdisciplinary Reviews Computational Molecular Science 1, (2011), pp. 191-199. [Pg.15]

Lischka H, Muller T, Szalay PG, Shavitt I, Pitzer RM, Shepard R (2011) COLUMBUS—a program system for advanced multireference theory calculations. In Wiley Interdisciplinary Reviews Computational Molecular Science, vol 1, p 191... [Pg.65]

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