A fully quantum mechanical dynamical calculation on the photodissociation of molecular chlorine is presented. The magnitudes and phases of all the relevant photofragment T-matrices have been calculated, making this study the computational equivalent of a "complete experiment," where all the possible parameters defining an experiment have been determined. The results are used to simulate cross-s...

Conspectus Quantum mechanics (QM) has revolutionized our understanding of the structure and reactivity of small molecular systems. Given the tremendous impact of QM in this research area, it is attractive to believe that this could also be brought into the biological realm where systems of a few thousand atoms and beyond are routine. Applying QM methods to biological problems brings an improved...

Since the presentation of polynomial time quantum algorithms for discrete log and factoring [Sho94] it is generally accepted that quantum computers may—at least for some problems— outperform classical ones. But the field of quantum information processing does not only have implications for computational problems. Using quantum mechanical systems for information processing naturally leads to the...

The purpose of this letter is to observe resonance in an open quantum system with a Coulomb interaction. The system that we study is the two-lead interacting resonant-level model (IRLM), which consists of two leads of non-interacting electrons that interact with an electron on a quantum dot in between the two leads. We obtain N -electron scattering states for arbitrary N , generalizing the Beth...

The miniaturization of structures in the guise of nanoscale materials has created a so-called nanoplatform for applied biomedical research in developing novel and improved diagnostics and therapeutics. Nanoparticles offer large surfaces for reactions involving biomolecules, thus providing a promising pathway to combine biomolecular functionality with unique electronic and optical attributes of ...

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