Electronic and Molecular Dynamics by the Quantum Wave Packet Method

A solution to the time‐dependent Schrödinger equation is required in a variety of problems in physics and chemistry. In this chapter, recent developments of numerical and theoretical techniques for quantum wave packet methods efficiently describe the dynamics of molecular dynamics, and electronic dynamics induced by ultrashort laser pulses in atoms and molecules will be reviewed, particularly on the development of grid methods and time‐propagation or pseudo‐time evolution methods developed recently. Applications of the quantum wave packet for studying the reactive resonances in F + H2/HD and O + O2 reaction, dissociative chemisorption of water on transition‐metal surfaces, state‐to‐state reaction dynamics, state‐to‐state tetra‐atomic reaction dynamics using transition wave packet method and reactant coordinate method, and electronic dynamics in H2+ and H2 molecules will be presented

Nonlocal effective medium analysis in symmetric metal-dielectric multilayer metamaterials

The optical nonlocality in symmetric metal-dielectric multilayer metamaterials is theoretically and experimentally investigated with respect to transverse-magnetic-polarized incident light. A nonlocal effective medium theory is derived from the transfer-matrix method to determine the nonlocal effective permittivity depending on both the frequency and wave vector in a symmetric metal-dielectric multilayer stack. In contrast to the local effective medium theory, our proposed nonlocal effective medium theory can accurately predict measured incident angle-dependent reflection spectra from a fabricated multilayer stack and provide nonlocal dispersion relations. Moreover, the bulk plasmon polaritons with large wave vectors supported in the multilayer stack are also investigated with the nonlocal effective medium theory through the analysis of the dispersion relation and eigenmode.Comment: 21 pages, 7 figure