Optimal control theory for unitary transformations

The dynamics of a quantum system driven by an external field is well described by a unitary transformation generated by a time-dependent Hamiltonian. The inverse problem of finding the field that generates a specific unitary transformation is the subject of study. The unitary transformation which can represent an algorithm in a quantum computation is imposed on a subset of quantum states embedded in a larger Hilbert space. Optimal control theory is used to solve the inversion problem irrespective of the initial input state. A unified formalism based on the Krotov method is developed leading to a different scheme. The schemes are compared for the inversion of a two-qubit Fourier transform using as registers the vibrational levels of the X¹Σ_g⁺ electronic state of Na₂. Raman-like transitions through the A¹Σ_u⁺ electronic state induce the transitions. Light fields are found that are able to implement the Fourier transform within a picosecond time scale. Such fields can be obtained by pulse-shaping techniques of a femtosecond pulse. Of the schemes studied, the square modulus scheme converges fastest. A study of the implementation of the Q qubit Fourier transform in the Na₂ molecule was carried out for up to five qubits. The classical computation effort required to obtain the algorithm with a given fidelity is estimated to scale exponentially with the number of levels. The observed moderate scaling of the pulse intensity with the number of qubits in the transformation is rationalized.