Faculty

**Title:** Professor Emeritus**Email:** morrisonr@ecu.edu

BS, College of Emporia (1964)

PhD, University of Nebraska (1969)

Postdoctoral Fellowship, University of Georgia (1968-1970)

Current interests include quantum chemistry, electronic structure of
atoms and molecules, density matrices and density functional theory.

(* indicates undergraduate contributor)

l. "Projected
Hartree Product Wavefunctions. III. Comparison with the CI Method for
H2." R.C. Morrison and G.A. Gallup, J. Chem. Phys. **50**, 1214 (1969).

2.
"On the Interpretative Aspects of Second Order Reduced Density
Matrices." D.W. Smith, E.G. Larson, and R.C. Morrison, Int. J. Quantum
Chem. **S3**, 683 (l969).

3. "Unusual Chemically
Induced Nuclear Spin Polarization in Reactions of Sodium Naphthalene
with Alkyl Halides." J.F. Garst, R.H. Cox, J.T. Barbas, R.D. Roberts,
J.I. Morris, and R.C. Morrison, J. Amer. Chem. Soc. **92**, 567l (1970).

4.
"Chemically Induced Dynamic Nuclear Polarization. General Solutions of
CKO Model. Applicability to Reactions Run in Low Magnetic Fields." J.I.
Morris, R.C. Morrison, D.W. Smith, J.F. Garst, J. Amer. Chem. Soc. **94**, 2406 (1972).

5.
"Density Matrix Study of Atomic Ground and Excited States. III. General
Energy Analysis of an Accurate Beryllium Ground State Wavefunction."
P.L. Olympia, Jr., R.C. Morrison, and D.W. Smith, Phys. Rev. **6l**, 1767 (l972).

6.
"Partitioning Schemes for the 2-Matrix. The Pair Density." R.C.
Morrison, D.W. Smith, and E.G. Larson, Inter. J. Quantum Chem., **7**, 837 (l973).

7.
"Extension of Koopman's Theorem. II. Accurate Ionization Energies From
Correlated Wavefunctions for Closed-Shell Atoms." O.W. Day, D.W. Smith
and R.C. Morrison, J. Chem. Phys. **62**, 115 (l975).

8.
"An Extension of Koopman's Theorem. III. Ionization Energies of The
Open-Shell Atoms Li and B." R.C. Morrison, O.W. Day, and D.W. Smith,
Inter. J. Quantum Chem. **S9**, 229 (l975).

9.
"Extension of Koopman's Theorem. IV. Ionization Potentials from
Correlated Wavefunctions for Molecular Flourine." J.C. Ellenbogen, O.W.
Day, D.W. Smith, and R.C. Morrison, J. Chem. Phys. **66**, 4795 (1977).

l0. "One-Particle Ionization Energies from Correlated Wavefunctions: Applications to Be." R.C. Morrison, Chem. Phys. Letters **62**, 131 (1979).
Morrison 8

11. "A Calculator Program for a Talking Microcomputer Designed to Aid Blind Students in Chemistry Laboratories", R. C. Morrison, D. Lunney, M. M. Cetera, R.V. Hartness*, G. Locklair*, R. B. Ransom*, and D. Sowell*, in Personal Computers in Chemistry, P. Lykos, ed., pp. 164-176, Wiley-Interscience, l981.

12. "High Technology Laboratory Aids for Visually Handicapped Chemistry Students", D. Lunney and R.C. Morrison, J. Chem. Educ., 58, 228 (1981).

13. "Talking and Voice Entry Computers for the Chemistry Lab", R. C. Morrison and D. Lunney, Proceedings of the Exposition on Technology for the Handicapped, NC State University, 1981 (extended abstract of an oral presentation).

14. "A Laboratory Data Collection Microcomputer for Handicapped Science Students", David Lunney and Robert C. Morrison, Journal of Special Education Technology, Vol. 5, No. 4, p. 51, 1982 (extended abstract of an oral presentation).

15. "A Microcomputer-based Laboratory Aid
for Visually Impaired Students", David Lunney, Robert C. Morrison,
et.al., IEEE Micro, 3(4), 19 (1983). (also published in Japanese in Nikkei Electronics **221**, 2-13 (1984)).

16. "Talking and Voice Entry Computers for the Chemistry Lab", D. Lunney and R. C. Morrison, in Technology for Independent Living II, M. Redden and V. Stern, ed., pp. 105-106, American Association for the Advancement of Science, 1983 (extended abstract of an oral presentation).

17.
"The Microcomputer as a Laboratory Aid for Visually Impaired Students",
Robert C. Morrison and David Lunney, Journal of Visual Impairment and
Blindness, **78**, 418-425 (1984).

18. "A Voice
Operated Microcomputer-Based Laboratory Data Acquisition System to Aid
Handicapped Students in Chemistry Laboratories", Robert C. Morrison,
David Lunney, Ronald J. Terry*, John Hassell, and Gary Boswood*, Journal
of Chemical Information and Computer Sciences, **24**, 271-275 (1984).

19. "Communicating with Sound", William Buxton, Sara Bly, Steven Frysinger, David Lunney, Douglass Mansur, Joseph Mezrich, Robert C. Morrison, SIGCHI Bulletin Special Issue on the CHI '85 Conference Proceedings of Human Factors in Computing Systems, 1985, 115-119 (an extended abstract of a panel discussion).

20. "The Density and Density Matrix from
Optimized Linearly Independent Product Basis Functions for Be", Robert
C. Morrison, Inter. J. Quantum Chem. **S22**, 43 (1988).

21.
"An Explicit Density Matrix Functional of the (N-1)-Particle System
when the N-Particle System is Known", R. C. Morrison Inter. J. Quantum
Chem., **S23**, 583 (1989).

22. "Auditory
Presentation of Experimental Data", D. Lunney and R. C. Morrison, in
Proceedings of the SPIE, (Extracting Meaning from Complex Data:
Processing, Display, Interaction), **1259**, E. J. Farrell, ed., pp. 140-146 (1990).
Morrison 9

23. "Approximate Density Matrices and Wigner
Distribution Functions from Density, Kinetic Energy Density, and
Idempotency Constraints", R. C. Morrison, W. Yang, R. G. Parr, and C.
Lee, Inter. J. Quantum Chem., **38**, 819 (1990).

24.
"Approximate Density Matrices and Husimi Functions Using the Maximum
Entropy Formulation with Constraints", R. C. Morrison and R. G. Parr,
Inter. J. Quantum Chem. **39**, 823 (1991).

25. "The Extended Koopmans' Theorem and its Exactness", R. C. Morrison, J. Chem. Phys. **96**, 3718 (1992).

26.
"Extended Koopmans' theorem: approximate ionization energies from MCSCF
wave functions", Robert C. Morrison and Guanghua Liu, J. Comp. Chem. **13**, 1004 (1992).

27.
"The Question of the Completeness of the Occupied Natural Orbitals for
Atoms and Molecules", R. C. Morrison, Z. Zhou, and R. G. Parr, Theor.
Chim. Acta **86**, 3 (1993).

28. "The
Non-N-Representability of the Colle-Salvetti Second-Order Reduced
Density Matrix", R. C. Morrison, Inter. J. Quantum Chem. **46**, 583 (1993).

29. "Comment on 'The exactness of the extended Koopmans' theorem: A numerical study'", R. C. Morrison, J. Chem. Phys. **99**, 6221 (1993).

30.
"Extended Koopmans' Theorem Ionization Potentials for Beryllium Atom
Shake-Up Transitions", R. C. Morrison, Inter. J. Quantum Chem. **49**, 649 (1994).

31.
"Examination of the Limits of Accuracy of the Extended Koopmans'
Theorem
Ionization Potentials into Excited states of Ions of LiH, He2, and Li2"
R.C. Morrison, C. M. Dixon*, and J. R. Mizell, Jr.* Inter. J. Quantum
Chem. Symp **28**, 309 (1994).

32. "From electron
densities of Kohn-Sham kinetic energies, orbital energies, exchange
potentials, and exchange-correlation energies", Q. Zhao, R. C. Morrison,
and R. G. Parr, Phys. Rev. A **50**, 2138 (1994).

33.
"Solution to the Kohn-Sham equations using reference densities from
accurate, correlated wave functions for the neutral atoms helium through
argon", R. C. Morrison and Q. Zhao, Phys. Rev. A **51**, March (1995).

34.
"Generalized Overlap Amplitudes for the Lithium Atom", R. C. Morrison,
J. R. Mizell, Jr.* and O. W. Day, Jr., Inter. J. Quantum Chem.**57 **355(1996).

35.
"Generalized overlap amplitudes using the Extended Koopmans' theorem
for Be", R. C. Morrison and P. W. Ayers*, J. Chem. Phys. **103**, 6556 (1995).

36. "Chemical Bonding in the Hydrogen Molecule", R. C. Morrison, W. Tong and O. W. Day, Jr., Inter. J. Quantum Chem. **60**, 421-431 (1996).

37.
"Employing homogeneity properties of density functionals to determine
the total electronic energy", R. C. Morrison and R. G. Parr, Phys. Rev. A
**53**, R2918-20 (1996).

38. "Analysis of Chemical Bonding in C2 Using Dyson Orbitals", W. Tong, R.
Morrison 10
C. Morrison, and O. W. Day, Jr., Inter. J. Quantum Chem. Symp. **30**, 411-419 (1996).

39. "Calculating Electronic Energies from Kohn-Sham Effective Potentials", R. C. Morrison and R. G. Parr, in Electronic Density Functional Theory: Recent Progress and New Directions, ed. M. P. Das, G. Vignale, and J. F. Dobson, (Plenum Publishing Co., 1998), p. 125-131.

40. "Analysis
of Density Functionals and Their Density Tails in H2", P. W. Ayers, O.
W. Day, Jr., and R. C. Morrison, Inter. J. Quantum Chem **69**, 541-550 (1998).

41.
"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).

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

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

44.
"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).

45. "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).

46.
"Approximate scaling properties of the density functional theory Tc for
atoms", Shubin Liu, Robert C. Morrison, and Robert G. Parr, J. Chem.
Phys. **125**, 174109/1 (2006).

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

48.
"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).

49.
"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).

50. "Fukui Functions for the Elements H through Ar", Robert C. Morrison and Paul W. Ayers, submitted to PCCP July 2015.