nI_invariant_S2_expval_exc Interface

public interface nI_invariant_S2_expval_exc

Contents


Module Procedures

private pure function nI_invariant_S2_expval_exc_Excite_1_t(exc) result(res)

Evaluates

Arguments

Type IntentOptional Attributes Name
type(Excite_1_t), intent(in) :: exc

Return Value real(kind=dp)

The matrix element is always exactly zero

private pure function nI_invariant_S2_expval_exc_Excite_2_t(exc) result(res)

Evaluates

Arguments

Type IntentOptional Attributes Name
type(Excite_2_t), intent(in) :: exc

Return Value real(kind=dp)

The matrix element. It is real even for complex NECI.

private pure function nI_invariant_S2_expval_exc_Excite_3_t(exc) result(res)

Evaluates

Arguments

Type IntentOptional Attributes Name
type(Excite_3_t), intent(in) :: exc

Return Value real(kind=dp)

The matrix element is always exactly zero