The Stark effect or electroabsorption spectrum of the Qr transition of the special pair, P, of Rb. sphaeroides reaction centers has been measured at 1.5 K in frozen glycerol/buffer glasses. Under these conditions, inhomogeneous broadening of the absorption band is minimized, and some structure is resolved in the absorption and Stark effect spectra. As a result it is possible to greatly refine e...

We report the implementation and application of linear response density-functional theory (DFT) based on the 4-component relativistic Dirac–Coulomb Hamiltonian. The theory is cast in the language of second quantization and is based on the quasienergy formalism (Floquet theory), replacing the initial state dependence of the Runge–Gross theorem by periodic boundary conditions. Contradictions in c...

A series of linear and star-shaped pyrazine-containing acene molecules 1a-b, 2a-b and 3 substituted by dicarboximide groups are synthesized via condensation reactions between o-diamine and dione. High electron affinity (up to 4.01 eV) is achieved due to the introduction of an electron-deficient pyrazine moiety and the attachment of electron-withdrawing dicarboximide groups. Some of these molecu...

We demonstrate an efficient eigendecomposition method for analyzing the guided modes in metal nanoparticle chains. The proposed method has the advantage of simultaneously showing the dispersion relation and the mode quality. It can also separate the material properties from the geometrical properties. Its efficiency therefore does not depend on the complexity of the material polarizability. We ...