Chemical Physics Letters, Vol.409, No.1-3, 63-69, 2005
Computation of Husimi intracules
A new type of phase space intracule, called the Husimi intracule, is introduced. Husimi intracules are derived from the Husimi distribution and are closely related to Wigner intracules. The Husimi distribution contains the Heisenberg uncertainty principle within its definition. The corresponding intracules are everywhere positive and can be interpreted rigorously as a probability distribution. Husimi intracules for a few small atoms and H-2 are presented in order to illustrate their properties. (c) 2005 Elsevier B.V. All rights reserved.