相关论文: Oscillator strengths with pseudopotentials
We calculate the energy deposition by very short laser pulses in SiO_2 (alpha-quartz) with a view to establishing systematics for predicting damage and nanoparticle production. The theoretical framework is time-dependent density functional…
The pseudospectral method is a powerful tool for finding highly precise solutions of Schr\"{o}dinger's equation for few-electron problems. We extend the method's scope to wave functions with non-zero angular momentum and test it on several…
Self-interaction (SI) error, which results when exchange-correlation contributions to the total energy are approximated, limits the reliability of many density functional approximations. The Perdew-Zunger SI correction (PZSIC), when applied…
By performing a critical analysis of the fundamental equations of linear-response (LR) formalism in molecules, we explore the interplay between locality of the response density operator and numerical convergence of LR-related quantities. We…
We investigate the existence and properties of effective potentials in time-dependent density functional theory. We outline conditions for a general solution of the corresponding Sturm-Liouville boundary value problems. We define the set of…
We derive a discrete spectral representation of the single-particle self-energy using a discrete evaluation of Kugler's symmetric improved estimator. Our construction can be used on both the real and the complex (Matsubara) frequency axis.…
Recently, a new algorithm for the computation of covariant Lyapunov vectors and of corresponding local Lyapunov exponents has become available. Here we study the properties of these still unfamiliar quantities for a number of simple models,…
Complex envelope and reduced phase simulation models describing the dynamical behavior of an optoelectronic oscillator (OEO) under injection by an external source are described. The models are built on the foundations of a previously…
We study the dynamics of the three-dimensional polaron - a quantum particle coupled to bosonic fields - in the quasi-classical regime. In this case the fields are very intense and the corresponding degrees of freedom can be treated…
The macroscopic electromagnetic properties of type II superconductors are primarily influenced by the behavior of microscopic superconducting flux quantum units. Time-dependent Ginzburg-Landau (TDGL) equations provide an elegant and…
The first detailed comparison between ab initio calculations of finite fermionic superfluid systems, performed recently by Chang and Bertsch [Phys. Rev. A 76, 021603(R), (2007)] and by von Stecher, Greene and Blume [e-print…
This chapter is devoted to exact conditions in time-dependent density functional theory. Many conditions have been derived for the exact ground-state density functional, and several have played crucial roles in the construction of popular…
We study the periodic forced response of a system of two limit cycle oscillators that interact with each other via a time delayed coupling. Detailed bifurcation diagrams in the parameter space of the forcing amplitude and forcing frequency…
The strength functions of isovector dipole resonances in the even oxygen isotopes $^{18\sim24}$O are calculated by using an extended version of the time-dependent Hartree-Fock theory known as the time-dependent density-matrix theory (TDDM).…
Particle-in-cell codes are now standard tools for studying ultra-intense laser-plasma interactions. Motivated by direct laser acceleration of electrons in sub-critical plasmas, we examine temporal resolution requirements that must be…
We formulate a coherent approach to signals and systems theory on time scales. The two derivatives from the time-scale calculus are used, i.e., nabla (forward) and delta (backward), and the corresponding eigenfunctions, the so-called nabla…
We present an exact decomposition of the complete wavefunction for a system of nuclei and electrons evolving in a time-dependent external potential. We derive formally exact equations for the nuclear and electronic wavefunctions that lead…
Strong field photoemission and electron recollision provide a viable route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal resolution. However, since an {\em ab-initio} treatment of even the…
We construct effective Hamiltonians which despite their apparently nonrelativistic form incorporate relativistic effects by involving parameters which depend on the relevant momentum. For some potentials the corresponding energy eigenvalues…
We derive a time-dependent density functional theory appropriate for calculating the near-edge X-ray absorption spectrum in molecules and condensed matter. The basic assumption is to increase the space of many-body wave functions from one…