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Class and functions to store interaction operators.
Classes
class DOCIHamiltonian
: Class for storing DOCI hamiltonians which are defined to be restrictions of fermionic operators to doubly occupied configurations.
Functions
get_doci_from_integrals(...)
: Construct a DOCI Hamiltonian from electron integrals
get_projected_integrals_from_doci(...)
: Generates a set of atomic integrals corresponding to this Hamiltonian
get_tensors_from_doci(...)
: Makes the one and two-body tensors of a fermionic "parent Hamoltonian" from the DOCI Hamiltonian matrices
Other Members | |
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COEFFICIENT_TYPES |
(<class 'int'>, <class 'float'>, <class 'complex'>)
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