Charges mixing methods#
Options are:
Method |
Value |
Notes |
---|---|---|
Automatic (default) |
None |
FData dependent |
Mulliken |
‘mulliken’ |
|
Mulliken Dipole |
‘mulliken_dipole’ |
|
Lowdin |
‘lowdin’ |
|
Weighted Lowdin |
‘weighted_lowdin’ |
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.