An algebraic proof of generalized Wick theorem

Abstract

The multireference normal order theory, introduced by Kutzelnigg and Mukherjee [J. Chem. Phys. 107, 432 (1997)] , is defined explicitly, and an algebraic proof is given for the corresponding contraction rules for a product of any two normal ordered operators. The proof does not require that the contractions be cumulants, so it is less restricted. In addition, it follows from the proof that the normal order theory and corresponding contraction rules hold equally well if the contractions are only defined up to a certain level. These relaxations enable us to extend the original normal order theory. As a particular example, a quasi-normal-order theory is developed, in which only one-body contractions are present. These contractions are based on the one-particle reduced density matrix.