paramagpy.metal.Metal.dipole_shift_tensor

Metal.dipole_shift_tensor(position)

Calculate the chemical shift tensor at the given postition

This arises due to the paramagnetic dipole tensor field

Parameters

position (array floats) – the position (x, y, z) in meters

Returns

dipole_shift_tensor – the tensor describing chemical shift at the nuclear position

Return type

3x3 array