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by uachstno
25 May 2014, 13:30
Forum: Bug reports
Topic: Spin-Rotation constants
Replies: 4
Views: 11046

Spin-Rotation constants

When calculating spin-rotation constants with common gauge origin the off diagonal terms are incorrect. Calculation with london orbitals: 34.084225 20.032869 0.000000 47.343131 30.898881 -0.000000 -0.000000 0.000000 32.643309 Calculation with common gauge in the center of mass: 34.255338 303.963380 ...