|AMMCS-2013 Venue: Wilfrid Laurier
University Campus in Waterloo, Canada
AMMCS-2013 Semi-Plenary Talk
Variational Principles in Wave-Functional and Density-
Functional Formulations of Quantum Mechanics
Abstract: Variational theorems are important for obtaining approximate solutions to the Schroedinger equation.
With this in mind, fundamental variational principles will first be discussed within the wave-functional
formulation of quantum mechanics. Then the corresponding variational principles for ground states in
density and density-matrix functional theories will be reviewed briefly for the non-degenerate and
degenerate situations. Based on these variational principles, properties of the exact functionals will be
presented that are difficult to satisfy with approximate functionals. Special emphasis will be given to
degeneracies, coordinate scaling, and potentials (functional derivatives). Then, a new time-independent
density-functional theory for excited states will be presented for Coulomb systems. The lecture will
conclude with a description of certain relevant unsolved mathematical problems, such as one involving an
ionization energy convexity property.
Born 1941, in Brooklyn, New York.
Professor Emeritus, Tulane University and North Carolina A&T State University.
Visiting Professor, Duke University (2007-). Professor, North Carolina Agricultural and
Technical State University, 2002-2007. Professor, Tulane University, 1976-2002 (presently,
Professor Emeritus). Visiting Professor or Visiting Scientist: Oak Ridge National Laboratory;
Quantum Theory Project, University of Florida; Instituto Venezolano de Investigaciones
Cientificas (I.V.I.C.), Caracas, Venezuela; Institute for Theoretical Physics, University of
California at Santa Barbara; Institute of Theoretical Physics, Kossuth Lajos University,
Debrecen, Hungary; Department of Physics and Theory Center Cornell University; Lecturer,
Department of Chemistry, the University of North Carolina at Chapel Hill, 7/74-7/76.
International Academy of Quantum Molecular Science; International Academy of Mathematical
Chemistry; Fellow of The American Physical Society; Editorial Board, Advances in Quantum
Chemistry; Advisory Editorial Board, Theoretical Chemistry Accounts; Advisory Editorial
Board, Progress in Theoretical Chemistry; Guest Editor: The International Journal of Quantum
Chemistry; Tulane Liberal Arts and Sciences, Faculty Research Award, 1998.