Robert C. Morrison

Principle Fields of Interest

Quantum theory of atoms and molecules. Chemical concepts in density functional theory. Temporary anion resonance states of atoms and molecules, and related non-Hermitian quantum mechanics. Collaborative development and use of the ATMOL program for large scale calculations on atoms and molecules, with interest in complex scaling of the Hamiltonian for application to resonances states.

Hobbies

Learning to play classical guitar and Ironman Racing. On October 23, 1999 I swam 2.4 miles in the Pacific Ocean, rode a bicycle 112 miles through the hot, windy lava fields of Hawaii, then ran 26.2 miles.  I’m going to brag the rest of my life.

Recent Invited Talks

“Temporary Anion Resonance States: Future Work and Problems to be Solved”, Robert C. Morrison, November,, 2019, gathering “Present, Future and Applications of Ab-Initio Atomic and Molecular Electronic Structure Calculations” Cuernavaca, Mexico, (invited talk).

“Temporary Anion Resonance States, Non-Hermitian Quantum Mechanics, Chemical Reactivity, Uncertainty, and the Pauli Principle”, November, 2019, gathering “Present, Future and Applications of Ab-Initio Atomic and Molecular Electronic Structure Calculations”, Cuernavaca, Mexico, (invited talk).

“On the Nature of the Real Part of the Electron Density and the Resulting Fukui Functions Obtained from Complex Wave Functions of Temporary Anion States”, R. C. Morrison 255^th ACS National Meeting, 2018, New Orleans. (invited talk).

Selected Publications

“A Comparison of the Scalar Hermitian Product versus the Complex Product for Obtaining Electron Densities and Fukui Functions from Complex Wavefunctions for the Temporary Anion Resonance States of Be-, Mg-, and Ca-”, Robert C. Morrison,  Molecular Physics  117(17), 2195-2200 (2019).

”Fukui Functions for the Temporary Anion Resonance States of Be^–, Mg^–, and Ca^–“, Robert C. Morrison,  Acta Physico-Chimica Sinica 34(3), 263-269 (2018)

“Discontinuity of the exchange-correlation potential and the functional derivative of the noninteracting kinetic energy as the number of electrons crosses integer boundaries in Li, Be, and B”, Robert C. Morrison, J. Chem. Phys. 142, 014101 (2015).

“Exact ionization potentials from wavefunction asymptotics: The extended Koopmans’ theorem, revisited”, Diederik Vanfleteren, Dimitri Van Neck, Paul W. Ayers, Robert C. Morrison, and Patrick Bultnick, J. Chem. Phys. 130, 194104/1-10 (2009).

“Density scaling and relaxation of the Pauli principle”, Robert C. Morrison, Paul W. Ayers, and A. Nagy, J. Chem. Phys. 126, 124111 (2007).

“Approximate scaling properties of the density functional theory T_c for atoms”, Shubin Liu, Robert C. Morrison, and Robert G. Parr, J. Chem. Phys. 125, 174109/1 (2006).

“Fermi-Amaldi model for exchange-correlation: atomic excitation energies from orbital energy differences”, Paul W. Ayers, Robert C. Morrison, and Robert G. Parr, Molecular Physics 103, 2061 (2005).

“Exchange-correlation potentials for high-electron-density ions in the Be isoelectronic series”, R. C. Morrison and L. J. Bartolotti, J. Chem. Phys. 121, 12151 (2004).

“Examination of the monotonic atomic density postulate”, P. W. Ayers and R. C. Morrison, Acta Physica et Chimica Debrecina 34-35, 197 (2002).

“Electron correlation and noninteracting v-representability in density functional theory: The Be isoelectronic series”, R. C. Morrison, J. Chem. Phys. 117, 10506 (2002).

“Variational principles for describing chemical reactions: Condensed reactivity indices”, P. W. Ayers, R. C. Morrison, and R. K. Roy, J. Chem. Phys. 116, 8731 (2002).