个人简介

Ph.D., University of Uppsala, 1966

研究领域

Physical

Quantum dynamics and spectra, statistical mechanics, surface phenomena, femtosecond spectroscopy, collisional energy and charge transfer, reactive collisions Our research deals with theoretical and computational aspects of molecular and materials sciences, with emphasis on the unified treatment of physical and chemical kinetics using quantum molecular dynamics. It includes collision-induced and photoinduced phenomena in the gas phase, clusters, and at solid surfaces. Our aim is to provide a fundamental approach to molecular dynamics, where electronic and nuclear motions are consistently coupled to account for quantal effects. We use quantum and statistical mechanics, mathematical, and computational methods, to describe time-dependent phenomena (such as femtosecond dynamics and spectra) in both simple and complex molecular systems.

近期论文

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D.A. Micha and D. Srivastava, "The Calculation of Time-Correlation Functions for Extended Molecular Systems," Computers Chem. 14, 329-334 (1990). K. Runge, D. A. Micha and Q. Feng, "Time-Dependent Molecular Orbital Approach to Electron Transfer in Ion-Atom Collisions", Intern. J. Quantum Chem. Symp. 24, 781-790 (1990). J. Echave, F. M. Fernandez, and D. A. Micha "A Generalized Intermediate Picture of Quantal Time Evolution Using Operator Algebras. Application to Translational-Vibrational Energy Transfer in Molecular Collisions", J. Chem. Phys. 94, 3537-3541 (1991) D. Srivastava and D. A. Micha, "Complex Path Integration with Time-Dependent Hamiltonians for Extended Molecular Systems" Computer Phys. Comm. 63, 331-344 (1991). D. Srivastava and D. A. Micha, "Photodynamics of Extended Molecular Systems I. A Theoretical Approach for Strongly Coupled Primary and Secondary Regions", J. Chem. Phys. 94, 4900-4912 (1991). D. Srivastava and D. A. Micha, "Photodynamics of Extended Molecular Systems II. Application to the Photodissociation of CH3I from Vibrationally Excited Initial States", J. Chem. Phys. 95, 380-390 (1991). Q. Feng, D. A. Micha and K. Runge, "Time-Dependent Molecular Orbital Approach to Electron Transfer in Ion-Solid Surface Collisions", Intern. J. Quantum Chem. 50, 545-558 (1991). J. Echave, F. M. Fernandez, M. Camparo, and D. A. Micha "Construction of Effective Hamiltonians for Time-Dependent Phenomena from Variational Principles" , J. Chem. Phys. 95, 3607-13 (1991). D. A. Micha "A Coupled-Channels Approach to Molecular Photodissociation Using Decay Boundary Conditions", J. Phys. Chem. 95, 8082-86(1991). E. F. Vilallonga and D. A. Micha "The Calculation of Time-Correlation Functions for Molecular Collisions", Physics Reports 212, 329-390 (1992). J. M. Cohen and D. A. Micha "Electronically Diabatic Atom-Atom Collisions: A Selfconsistent Eikonal Approximation", J. Chem. Phys. 97, 1038-52 (1992). R. L. Asher, D. A. Micha and P. J. Brucat " Equilibrium Properties of Transition Metal Ion-Ar Cluster Ions Via Simulated Annealing", J. Chem. Phys. 96, 7683-95 (1992). D. A. Micha and K. Runge "Electronic Energy and Charge Transfer in Slow Atomic Collisions: A Time-Dependent Molecular Orbital Approach", in "Time-Dependent Quantum Molecular Dynamics", NATO ASI Series B: Physics vol. 299, eds. J. Broekhove and L. Lathouwers (Plenum Press, New York, 1992), pp. 247-266. F. M. Fernandez and D. A. Micha "Time-Evolution of Molecular States in Electronically Diabatic Phenomena", J. Chem. Phys. 97, 8173-80 (1992). J. M. Cohen and D. A. Micha "Angular Distributions in Electronically Adiabatic Hyperthermal Collisions: An Eikonal Approach", J. Chem. Phys. 98, 2023-30 (1993). D. A. Micha and E. F. Vilallonga "The Collisional Time-Correlation Function Approach to Molecular Energy Transfer", Adv. Chem. Phys. 84, 1-72 (1993). S. Miret-Artes and D. A. Micha "Multiphoton Dissociation for Coherent and Incoherent Fields", Phys. Rev. A 48, R4059-61 (1993). D. A. Micha and E. Q. Feng "The Calculation of Electron Transfer Probabilities in Slow Ion-Metal Surface Collisions", Special Issue on Gas-Surface Dynamics, Computer Phys. Comm. 90, 242-258 (1994). H. F. M. da Costa and D. A. Micha "Atomic Orbital Basis Sets for Molecular Interactions" J. Comput. Chem. 15, 633-61 (1994). D. A. Micha "Temporal Rearrangement of Electronic Densities in Slow Atomic Collisions", Intern. J. Quantum Chem. 51, 499-518 (1994).