Wasserman, Adam - Purdue University - Department of Chemistry

个人简介

B.S., 1999, Universidad Nacional de Colombia; Ph.D., 2005, Rutgers University; Postdoctoral fellow, 2005-2008, Harvard University.

研究领域

Our main goal is to gain fundamental understanding regarding the role that electron-electron interactions play in chemistry, and to develop new theoretical tools that help guiding and interpreting experiments where electron correlations are essential. We work on extending the range of applicability of time-dependent density functional methods (TDDFT) to the calculation of energies and lifetimes of resonances, conductance through molecular wires, response of molecules to strong laser fields, and signatures of interaction-induced chaos. We are also interested in the foundations of chemical reactivity theory (CRT) and understanding the way in which classic chemical concepts like electronegativity and hardness emerge from basic quantum mechanics. Within the framework of TDDFT, we are exploring possible time-dependent extensions of CRT in order to study electron excitation processes at the femtosecond time-scale.

近期论文

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Mack, M. R.;Whitenack, D.;Wasserman, A. Exchange-correlation asymptotics and high harmonic spectra Chemical Physics Letters 2013 14 1 23-35 Tang, R. G.;Nafziger, J.;Wasserman, A. Fragment occupations in partition density functional theory Physical Chemistry Chemical Physics 2012 14 - 7780-7786 Zhang, Y.;Wasserman, A. Transferability of Atomic Properties in Molecular Partitioning: A Comparison Journal of Chemical Theory and Computation 2010 6 11 3312-3318 Elliott P.;Cohen, M. H.;Wasserman, A.;Burke, K. Density Functional Partition Theory with Fractional Occupations Journal of Chemical Theory and Computati 2009 5 - 827-833 Cohen M. H.;Wasserman, A.;Car, R.;Burke, K. Charge Transfer in Partition Theory Journal of Physical Chemistry A 2009 113 - 2183-2192 Cohen, M.H.; Wasserman, A; Burke, K. Partition Theory: A very simple illustration J. Phys. Chem. A 2007 111 - 12447 Wasserman, A.; Moiseyev, N. Hohenberg-Kohn theorem for the lowest-energy resonance of unbound systems Phys. Rev. Lett. 2007 98 - 093003 Van Faassen, M.; Wasserman, A.; Engel, E.; Zhang, F.; Burke, K. Time-dependent density functional calculation of e-H scattering Phys. Rev. Lett. 2007 99 - 043005 Wasserman, A.; K. Burke Rydberg Transition Frequencies from the Local Density Approximation Phys. Rev. Lett. 2005 95 - 163006