N. Yngve Öhrn
Professor of Chemistry and Physics

Quantum Theory Project
Department of Chemistry and Physics
University of Florida

VOICE: (352) 392-6979

EMAIL: ohrn@qtp.ufl.edu

HOMEPAGE: http://www.qtp.ufl.edu/~ohrn/

Research Interests

Development of novel, rigorous, computationally tractable theory of molecular energetics and dynamics.

Explicitly time-dependent theory beyond the adiabatic approximation for the study of molecular processes and atomic collisions.
Application of such theory to the study of elementary chemical reactions, such as electron transfer (intra - and intermolecular), energy transfer, and rearrangements.
Application to first principles calculations of rate constants for elementary gas phase reactions.
Application to the interaction of molecular systems with external fields, such as intense laser fields.
Application to the study of optical and conduction properties of polymeric systems
Development and application of Green's function or propagator methods to the theoretical study of molecular spectroscopy.

Recent Publications

1. R. Cabrera-Trujillo, Y. Ohrn, E. Deumens, and J. R. Sabin, "Stopping cross section in the low- to intermediate energy range: Study of protons on atomic N, O, and F", Phys. Rev. A 62, 052714(1-9) (2000)

2. R. Cabrera-Trujillo, J. R. Sabin, E. Deumens, and Y. Ohrn, "Stopping cross section and charge exchange study on the He+->Ne system, Application of reactors in research and industry: Sixteenth International Conference AIP Conference Proceedings, 562, 3 (2000).
Y. Ohrn, Elements of Molecular Symmetry, Wiley&Sons, New York (2000)

3. E. Deumens and Y. Ohrn, "Complete Electron Nuclear Dynamics" , J. Phys. Chem. A105, 2660 (2001).
A. Blass, E. Deumens, and Y. Ohrn, "Rovibrational Analysis of Molecular Collisions using Coherent States", J. Chem. Phys. 115, 8633 (2001).

4. R. Cabrera-Trujillo, Y. Ohrn, J. R. Sabin, and E. Deumens, "Molecular target and projectile angular scattering effects in stopping power and charge exchange at low to intermediate energies" Phys. Rev. A 65,024901 (2002).

5. R. Cabrera-Trujillo, Y. Ohrn, E. Deumens, and J. R. Sabin, "Trajectory and molecular bidning effects in stopping cross sections for hydrogen beams on H2 " J. Chem. Phys. 116, 2783 (2002).

6. M. Coutinho-Neto, E. Deumens, and Y. Ohrn, "Abstraction and Exchange Mechanisms for the D2 +NH3 + Reaction at Hyperthermal Collision Energies ", J. Chem. Phys.116, 2794 (2002)

7. Y. Ohrn and E. Deumens, "Electron Nuclear Dynamics", in Effects of Electronic Degenerate States on Nuclear Dynamical Processes, Adv. Chem. Phys. Vol. 124, 323-353 (Eds. M. Baer and G. D. Billing) Wiley&Son, New York 2002.

8. Y. Ohrn, "Density, Density Matrix, or Propagator", Adv. Quantum. Chem. Vol. 41, 35 (Eds. J. R. Sabin and E. Brandas) , Academic Press, New York 2002.

9. S. A. Malinovskaya, R. Cabrera-Trujillo, J. R. Sabin, E. Deumens, and Y. Ohrn, "Dynamics of collisions of protons with acetylene molecules at 30 eV", J. Chem. Phys. 117, 1103 (2002).

10. R. Cabrera -Trujillo, J. R. Sabin, E. Deumens, and Y. Ohrn, "Stopping cross sections for N4+ -> H at low projectile velocity" Phys. Rev. A 66, 022706(1-7) (2002).

11. D. Jacquemin, B. Champagne, J.-M. Andre, E. Deumens, and Y. Ohrn, "Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems" , J. Comp. Chem. 23, 1430-1444 (2002).

12. R. Cabrera-Trujillo, Y. Ohrn, E. Deumens, J. R. Sabin, and B. G. Lidsay, "Theoretical and experimental studies of the H + + N 2 system: Differential cross sections for direct and charge transfer scattering at keV energies", Phys. Rev. A 66, 042712 (2002).

13. R. Cabrera-Trujillo, J. R. Sabin, Y. Ohrn, and E. Deumens, Energy loss studies of protons colliding with etahne: Preliminary results", J. Elec. Spectr. 129, 303-308 (2003).