non-periodic plane wave Hamiltonians

[babbush]

Plane waves are periodic basis functions. If one tries to use them to simulate systems of reduced periodicity (i.e. periodic in two-dimensions like graphene, one-dimension like a polymer, or zero-dimensions like a single-molecule in vacuum) then the basis introduces errors from the system interacting with a spurious periodic image that shouldn't be there. In Appendix E, Section 2 of Phys. Rev. X 8, 011044 we describe a well-known method for exponentially suppressing these periodic images. It would be great to have this implemented for our plane and dual basis Hamiltonians in OpenFermion.

[mhucka]

Unassigned the previous assignee due to the long duration of inactivity.