Charges mixing methods#

Options are:

Method

Value

Notes

Automatic (default)

None

FData dependent

Mulliken

‘mulliken’

[Mulliken]

Mulliken Dipole

‘mulliken_dipole’

[MullikenDip]

Lowdin

‘lowdin’

[Lowdin]

Weighted Lowdin

‘weighted_lowdin’

[WeightLowdin]

References#

[Mulliken]

Reference for Mulliken. Must add.

[MullikenDip]

Reference for Mulliken Dipole. Must add.

[Lowdin]

Reference for Lowdin. Must add.

[WeightLowdin]

Reference for NPA. Must add.