Final Technical Report Scalable Methods For Electronic Excitations And Optical Responses Of Nanostructures
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Final Technical Report [Scalable Methods for Electronic Excitations and Optical Responses of Nanostructures
The master project under which this work is funded had as its main objective to develop computational methods for modeling electronic excited-state and optical properties of various nanostructures. The specific goals of the computer science group were primarily to develop effective numerical algorithms in Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TDDFT). There were essentially four distinct stated objectives. The first objective was to study and develop effective numerical algorithms for solving large eigenvalue problems such as those that arise in Density Functional Theory (DFT) methods. The second objective was to explore so-called linear scaling methods or Methods that avoid diagonalization. The third was to develop effective approaches for Time-Dependent DFT (TDDFT). Our fourth and final objective was to examine effective solution strategies for other problems in electronic excitations, such as the GW/Bethe-Salpeter method, and quantum transport problems.
Electronic Excitations in Organic Based Nanostructures
The first book devoted to a systematic consideration of electronic excitations and electronic energy transfer in organic crystalline multilayers and organics based nanostructures(quantum wells, quantum wires, quantum dots, microcavities). The ingenious combination of organic with inorganic materials in one and the same hybrid structure is shown to give qualitatively new opto-electronic phenomena, potentially important for applications in nonlinear optics, light emitting devices, photovoltaic cells, lasers and so on. The book will be useful not only for physicists but also for chemists and biologists.To help the nonspecialist reader, three Chapters which contain a tutorial and updated introduction to the physics of electronic excitations in organic and inorganic solids have been included.* hybrid Frenkel-Wannier-Mott excitons* microcavities with crystalline and disordered organics * electronic excitation at donor-acceptor interfaces * cold photoconductivity at donor-acceptor interface* cummulative photovoltage* Feorster transfer energy in microcavity* New concepts for LEDs