Time-dependent density-functional theory is mathematically formulated through nonlinear coupled time-dependent three-dimensional partial differential equations, and it natural to expect a strong sensitivity of its solutions variations the initial conditions, akin butterfly effect ubiquitous in classical dynamics. Since Schr\"odinger equation for an interacting many-body system is, however, line...

First-order nonadiabatic coupling (NAC) matrix elements (fo-NACMEs) are the basic quantities in theoretical descriptions of electronically processes that ubiquitous molecular physics and chemistry. Given large size systems chemical interests, time-dependent density functional theory (TDDFT) is usually first choice methods. However, lack many-electron wave functions TDDFT renders formulation NAC...

We focus on studying the opacity of iron, chromium, and nickel plasmas at conditions relevant to experiments carried out Sandia National Laboratories [J. E. Bailey et al., Nature 517, 56 (2015)]. calculate photo-absorption cross-sections subsequent for using linear response time-dependent density functional theory (TD-DFT). Our results indicate that physics channel mixing accounted in TD-DFT le...