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A feasible approach for automatically differentiable unitary coupled-cluster on quantum computers.


ABSTRACT: We develop computationally affordable and encoding independent gradient evaluation procedures for unitary coupled-cluster type operators, applicable on quantum computers. We show that, within our framework, the gradient of an expectation value with respect to a parameterized n-fold fermionic excitation can be evaluated by four expectation values of similar form and size, whereas most standard approaches, based on the direct application of the parameter-shift-rule, come with an associated cost of expectation values. For real wavefunctions, this cost can be further reduced to two expectation values. Our strategies are implemented within the open-source package Tequila and allow blackboard style construction of differentiable objective functions. We illustrate initial applications through extended adaptive approaches for electronic ground and excited states.

SUBMITTER: Kottmann JS 

PROVIDER: S-EPMC8179519 | biostudies-literature |

REPOSITORIES: biostudies-literature

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