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s sets for calculations of molecular electric properties: Group II1A. Collection of Csethoslotak theistical COMMUllitd110115 68.211-239 (2003). 85. Schmidt. M. W. a at General atomic and molecular electronic structure system. Journal of computational chemistry 14.1347-1363 (1993). 86. Gordon. M. S. and
twork. The problem then con- sists of solving the characteristic equation for matrix eigenvalues: det(V — H,T) = 0 (4) Using numerical packages in Python, the eigenvalues of V were solved. As T is diagonal, these eigenvalues correspond to mcf2„2. Data availability. The datasets generated during and/
Diiger Dave Martindale Guy Eric Schainat Paul Schmidt Tim Wegner The PNG Reference Library is supplie
or its subsidiaries in the United States and other countries. openNURBS and Rhinoceros are a registered trademarks of Robert McNeel & Associates. Python is a registered trademark of Python Software Foundation. mental ray is a registered trademark of NVIDIA ARC GmbH, licensed for use by Autodesk, Inc.
Dilger, Dave Martindale, Guy Eric Schalnat, Paul Schmidt, Tim Wegner. The PNG Reference Library is suppl
. Bob Ippolito ( bdist_mpkg, macholib, modulegraph, py2app ) This is the MIT license. This software may also be distributed under the same terms as Python (the PSF license). Copyright @ 2004 Bob Ippolito. Permission is hereby granted, free of charge, to any person obtaining a copy of this software an
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