get_c6_from_system

get_c6_from_system(ket_tuple, system_pair, unit=None)[source]
Overloads:

  • ket_tuple (KetPairLike), system_pair (SystemPair), unit (None) → PintFloat

  • ket_tuple (KetPairLike), system_pair (SystemPair), unit (str) → float

Parameters:

  • ket_tuple (KetPairReal | KetPairComplex | tuple[KetAtom, KetAtom] | Sequence[KetAtom])

  • system_pair (SystemPairReal | SystemPairComplex)

  • unit (str | None)

Return type:

float | PlainQuantity[float]

Calculate the \(C_6\) coefficient for a given tuple of ket states.

This function calculates the \(C_6\) coefficient in the desired unit. The input is a 2-tuple of single atom ket states.

Parameters:

  • ket_tuple (KetPairReal | KetPairComplex | tuple[KetAtom, KetAtom] | Sequence[KetAtom]) – The input is a tuple repeating the same single atom state in the format (a,a).

  • given (If a tuple with not exactly two identical states is)

  • raised. (a ValueError is)

  • system_pair (SystemPairReal | SystemPairComplex) – The pair system that is used for the calculation.

  • unit (str | None) – The unit to which to convert the result. Default None will return a pint quantity.

Returns:

The \(C_6\) coefficient. If a unit is specified, the value in this unit is returned.

Raises:

ValueError – If a tuple with more than two single atom states is given.

Return type:

float | PlainQuantity[float]