Collect. Czech. Chem. Commun. 2008, 73, 1281-1298

Generalized Spin Bases for Quantum Chemistry and Quantum Information

Maurice R. Kiblera,b,c

a Université de Lyon, F-69622, Lyon, France
b Université Lyon 1, Villeeurbanne
c CNRS/IN2P3, UMR5822, Institut de Physique Nucléaire de Lyon


Symmetry-adapted bases in quantum chemistry and bases adapted to quantum information share a common characteristics: both of them are constructed from subspaces of the representation space of the group SO(3) or its double group (i.e., spinor group) SU(2). We exploit this fact for generating spin bases of relevance for quantum systems with cyclic symmetry and equally well for quantum information and quantum computation. Our approach is based on the use of generalized Pauli matrices arising from a polar decomposition of SU(2). This approach leads to a complete solution for the construction of mutually unbiased bases in the case where the dimension d of the considered Hilbert subspace is a prime number. We also give the starting point for studying the case where d is the power of a prime number. A connection of this work to the unitary group U(d) and the Pauli group is briefly underlined.

Keywords: Symmetry-adapted functions; Unitary bases; Generalized Pauli matrices; Unitary groups; Pauli group; Quantum chemistry; Quantum information.

References: 90 live references.