Department of Chemistry
Robert C. Morrison

Ironman Florida

Robert C. Morrison

B.S., College of Emporia (1964)
Ph.D., University of Nebraska (1969)
Postdoctoral Fellow, University of Georgia (1968-1970)

Click here to view my CV.

Physical Chemistry and Theoretical Chemistry

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


Scientific Papers - Publications

(* 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,, 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.