نتایج جستجو برای: delocalization
تعداد نتایج: 2887 فیلتر نتایج به سال:
We study propagation of a pair of oppositely charged and mutually incoherent vortices in anisotropic nonlinear optical media. Mutual interactions retard the delocalization of the vortex core observed for isolated vortices.
We investigate the quantum dynamical nature of hydrogen bonding in 1,2-ethanediol and monohydrated 1,2-ethanediol using different levels of ab initio theory. Global full-dimensional potential energy surfaces were constructed from PW91/cc-pVDZ, B3LYP/cc-pVDZ, and MP2/cc-pVDZ ab initio data for gas-phase and monohydrated 1,2-ethanediol, using a modified Shepard interpolation scheme. Zero-point en...
DNA building blocks consisting of up to four nucleobases are investigated using the EOM-CCSD and CC2-LR methods in two B-DNA-like arrangements of a poly-adenine:poly-thymine (poly-A:poly-T) system. Excitation energies and oscillator strengths are presented and the characteristics of the excited states are discussed. Excited states of single-stranded poly-A systems are highly delocalized, especi...
Rings of chlorophyll molecules harvest sunlight remarkably efficiently during photosynthesis in purple bacteria. The key to their efficiency lies in their highly delocalized excited states that allow for ultrafast energy migration. Here we show that a family of synthetic nanorings mimic the ultrafast energy transfer and delocalization observed in nature. π-Conjugated nanorings with diameters of...
The extent of triplet state delocalization is investigated in rigid linear zinc porphyrin oligomers as a function of interporphyrin bonding characteristics, specifically in meso-meso singly linked and β,meso,β fused structures, using electron paramagnetic resonance techniques. The results are compared with those of earlier measurements on porphyrin oligomers with alkyne linkers exhibiting diffe...
The interplay between the quantum interferences responsible for one particle localization over a length L1, and the partial dephasing induced by a local interaction of strength U with another particle leading to partial delocalization over a length L2 > L1, is illustrated by a study of the motion of two particles put close to each other at the initial time. Localization is reached in two steps....
We introduce a definition of a "localization width" whose logarithm is given by the entropy of the distribution of particle component amplitudes in the Lyapunov vector. Different types of localization widths are observed, for example, a minimum localization width where the components of only two particles are dominant. We can distinguish a delocalization associated with a random distribution of...
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