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Home Members Daniel Lee Whitenack


  • Organization
    Purdue University

  • Employment Type
    University / College Graduate Student

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  • Biography
    I am a graduate student at Purdue University doing research in Adam Wasserman's theoretical chemistry group. The main focus of our group is to understand, improve and extend the applicability of ab initio methods, such as Time Dependent Density Functional Theory (TDDFT), used to investigate the electronic structure of many­ body systems. Specifically, we seek to develop reliable and accurate methods of calculating resonance properties, response of molecules and atoms in laser fields, and transport properties of molecular wires. These tools are essential to help interpret and motivate experiment, but also to deepen our understanding of how fundamental physics and chemistry concepts emerge from quantum mechanics. Specifically, my research centers on the extension of TDDFT for the calculation of resonance properties of atoms and molecules. We are interested in both negative­ion and Feshbach resonances. The calculation of properties such as resonance energies and lifetimes is a major problem in theoretical chemistry because no accurate and reliable ab initio method exists that is also computationally feasible for large systems., a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.