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Users Manual. Next: Introduction to MOLPRO Contents Index · PDF. MOLPRO. Image molpro_logo. Users Manual Version 2012.1. H.-J. Werner · Institut fur Theoretische Chemie · Universitat Stuttgart Pfaffenwaldring 55. D-70569 Stuttgart Federal Republic of Germany. P. J. Knowles · School of Chemistry
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Bibliography: H.-J. Werner and P. J. Knowles, J. Chem. Phys. 82, 5053 (1985). P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 115, 259 (1985). All publications resulting from use of this program must acknowledge the above. See also: H.-J. Werner and W. Meyer, J. Chem. Phys. 73, 2342 (1980). H.-J. Werner and W.
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manual quickstart instguide update basis. Next: 19.6.4 Disabling the extra Up: 19.6 Selecting the optimization Previous: 19.6.2 Selecting the orbital Contents Index · PDF. 19.6.3 Disabling the optimization. In addition to the ITERATIONS directive described above, some procedures can be be disabled more simply using the
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