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MOLPRO94 is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, and P. R. Taylor
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MOLPRO94 is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, and P. R. Taylor.
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A more extensive description, including the open-shell formalism used and the details of the implementation is to be published elsewhere
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L. Visscher, K. G. Dyall, and T. J. Lee, Int. J. Quantum Chem. Symp. 29, 411 (1995). A more extensive description, including the open-shell formalism used and the details of the implementation is to be published elsewhere.
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85033053629
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unpublished The extended Br basis set used in this work is available upon request
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K. Fægri, Jr. (unpublished). The extended Br basis set used in this work is available upon request.
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Fægri Jr., K.1
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unpublished. The extended I basis set used in this work is available upon request
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K. Fægri, Jr. (unpublished). The extended I basis set used in this work is available upon request.
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Fægri Jr., K.1
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