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• Organization: National Institute of Standards and Technology
• Dataset Last Updated: March 01, 2009

Atomic Reference Data for Electronic Structure Calculations contains total energies, partial energies and orbital eigenvalues for the atoms hydrogen through uranium, as computed in several...

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• Organization: National Institute of Standards and Technology
• Dataset Last Updated: June 01, 2019

The programs here compute 3x3 matrices of maximal trace over rotation matrices from input matrices. A dxd matrix M is of maximal trace over rotation matrices if given any dxd rotation matrix U,...

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