OpenFermion
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quantumlib
The electronic structure package for quantum computers.
Hi all, this is probably already implemented, (it's probably more a pull request than an issue) but I lately wrote some code that computes expectation values of a (normal-ordered) FermionOperator...
It looks like InteractionRDM.rotate_basis calls the same PolynomialTensor routine as rotate_basis on InteractionOperator. RDM rotation should be ``` opdm = of.general_basis_change(opdm, v, (0, 1)) tpdm = of.general_basis_change(tpdm, v, (0, 0,...
The Hermitian conjugation function is currently sitting in operator_utils.py where it's really hard to find, and it also has hardcoded functionality for each subclass of each operator. It should probably...
Using `==` for exact equality matches its semantics in every other case I can think of. I realize that I actually advocated for changing it, but in hindsight I think...
In `__iadd__` and `__isub__`, it tests `abs(val) < EQ_TOLERANCE`, yet in `__eq__`, the comparison is ` less than EQ_TOLERANCE
I noticed an incorrect behavior, afaik, of the `utils._sparse_tools` function `expectation_computational_basis_state`. **Shortest reproduction of such an error:** ``` operator = normal_ordered(FermionOperator('0^ 0', 1.9) + FermionOperator('2^ 1') + FermionOperator('0^ 1^ 0...
This was agreed upon at #319 . We should use the same configuration as Cirq.
Our library currently contains code to generate molecular electronic structure Hamiltonians in 2D in the plane wave and dual bases. Such Hamiltonians are interesting in some contexts, for instance jellium...
I have a question regarding the dual plane wave basis. In my understanding I can create a Fermionic hamiltonian describing the electronic structure in a periodic material, on a discretized...
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The electronic structure package for quantum computers.