I think the functionality is not here yet. To get that, I derived a
subclass from Dummy, containing info about the Fock space as a string
labeling it. If no info is given, The string 'general' is used. This way
the index contains info both about the Fermi level (above/below) and the
Fock space.
I am now modifying the methods in second quantization so that they can
handle that.
Le mardi 17 mars 2015 07:37:42 UTC-4, Øyvind Jensen a écrit :
>
>
> Right now, Indexed Objects offer me more flexibility in defining index
>> ranges. To derive SAPT in second quantization, one needs two classes of
>> creation/annihilation operators {a^{\dagger},a} and {b^{\dagger},b}, where
>> anticommutation relations hold within each group, but each operator from
>> one class commutes with the other class because they act on different
>> monomers, hence different Fock spaces. So I need to have index ranges for
>> occupied/virtual orbitals of two different monomers in the same equations.
>> Is there any possibility to define such classes of operators in SymPy right
>> now?
>>
>> I don't think that is currently possible with the secondquant module, but
> it would be a useful feature. In the physics/quantum/ module, there are
> fermionic second quantization operators, and also some Fock space logic.
> Maybe the functionality is already available there?
>
>
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