Continuum states from time-dependent density functional theory

Abstract

Linear response time-dependent density functional theory is used to study low-lying electronic continuum states of targets that can bind an extra electron. Exact formulas to extract scattering amplitudes from the susceptibility are derived in one dimension. A single-pole approximation for scattering phase shifts in three dimensions is shown to be more accurate than static exchange for singlet electron-He${}^{+}$ scattering.

5 pages, 2 figures, J. Chem. Phys. accepted

References in corpus (3)

• Excitations in time-dependent density-functional theory
• Density functional theory in one-dimension for contact-interacting fermions
• Electron-molecule scattering calculations in a 3D finite element R-matrix approach

Cited by in corpus (11)

• Time-dependent density functional theory: Past, present, and future
• Perspectives on double-excitations in TDDFT
• Radiation damage to DNA: electron scattering from the backbone subunits
• Exact time-dependent exchange-correlation potential in electron scattering processes
• Rydberg transition frequencies from the Local Density Approximation
• Diffraction in low-energy electron scattering from DNA: bridging gas phase and solid state theory
• Time-dependent Density Functional calculation of e-H scattering
• Atoms in boxes: from confined atoms to electron-atom scattering
• Electron Scattering in Time-Dependent Density Functional Theory
• Double-Pole Approximation in Time-Dependent Density Functional Theory
• Real-time ab initio simulation of inelastic electron scattering using the exact, density functional, and alternative approaches