0000000000321060
AUTHOR
Jacek Karwowski
Symmetric-group approach to the study of the traces ofp-order reduced-density operators and of products of these operators
In this work we give the values of traces of p-order reduced-density operators. These traces are obtained by application of the spin functions and of the symmetric-group properties. The relations obtained here will allow an easy and fast evaluation of the high-order spin-adapted reduced Hamiltonian matrix elements and high-order Hamiltonian moments.
Traces of symmetry-adapted reduced density operators
Formulae are derived for traces of symmetry-adapted reduced density operators in a finite-dimensional, antisymmetric and spin-adapted space. The traces are expressed in terms of traces of products of the orbital occupation number operators.