• Organization: National Institute of Standards and Technology
• Updated: 2019-06-01 00:00:00

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,...

• html
• zip
• none

• Organization: National Institute of Standards and Technology
• Updated: 2009-03-01 00:00:00

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...

• html