Abstract
The realization of fractional quantum chemistry is presented. Adopting
the integro-differential operators of the calculus of arbitrary-order,
we develop a general framework for the description of quantum nonlocal
effects in the complex electronic environments. After a brief overview
of the historical and fundamental aspects of the calculus of
arbitrary-order, various classes of fractional Schrödinger equations are
discussed and pertinent controversies and open problems around their
applications to model systems are detailed. We provide a unified
approach toward fractional generalization of the quantum chemical models
such as Hartree-Fock and Kohn-Sham density functional theory and develop
fractional variants of the fundamental molecular integrals and
correlation energy. Furthermore, we offer various strategies for
modeling static and dynamic quantum nonlocal effects through constant-
and variable-order fractional operators, respectively. Possible
directions for future developments of fractional quantum chemistry are
also outlined.