Time-dependent density functional calculations

Kálmán Varga, Daniel Kidd, Cody Covington

Chaoyuan Zhu

Takashi Nakatsukasa

Basic issues of the time-dependent density-functional theory are discussed, especially on the real-time calculation of the linear response functions. Some remarks on the derivation of the time-dependent Kohn-Sham equations and on the numerical methods are given.

Takashi Nakatsukasa

Real-time computation of time-dependent quantum mechanical problems are presented for nuclear many-body problems. Quantum tunneling in nuclear fusion at low energy is described using a time-dependent wave packet. A real-time method of calculating strength functions using the time-dependent Schrödinger equation is utilized to properly treat the continuum boundary condition. To go beyond the few-body models, we resort to the density-functional theory. The nuclear mean-field models are briefly reviewed to illustrate its foundation and necessity of state dependence in effective interactions. This state dependence is successfully taken into account by the density dependence, leading to the energy density functional. Photoabsorption cross sections in 238 U are calculated with the real-time method for the time-dependent density-functional theory.

Aurel Bulgac, Michael McNeil Forbes

Takao Tsuneda, Kimihiko Hirao