Professor Emeritus, Chemistry

PhD Uppsala University, Sweden (1966)

Research Group

Quantum Theory Project (Chemical Physics)

Research Interests

Research interests include: 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

Selected Publications

Cabrera-Trujillo R, Sabin JR, Öhrn Y, and Oddershede J. “Oscillator strength sum rules with an external electromagnetic field”, Phys. Rev. A57, 3115 (1998)

Morales JA, Deumens E, and Öhrn Y. “On rotational coherent states in molecular quantum dynamics” J. Math. Phys.40, 766 (1999)

Cabrera-Trujillo R, Sabin JR, Öhrn Y, and Deumens E. “Direct differential cross section calculations for ion-atom and atom-atom collisions in the keV range”, Phys. Rev. A.61, 032719 (2000)

Cabrera-Trujillo R, Sabin JR, Öhrn Y, and Deumens E. “Charge Exchange and Threshold Effects in the Energy Loss of Slow Projectiles”, Phys. Rev.Lett. 84, 5300 (2000)

Cabrera-Trujillo R, Deumens E, Öhrn Y, and Sabin JR. “Impact parameter dependence of electronic and nuclear energy loss of swift ions H+ -> He, and H+ -> H”, Nucl. Instr. Meth B168, 484 492 (2000).