Caregiver decision-making concerning involuntary treatment in dementia care at home.

Background: Dementia care at home often involves decisions in which the caregiver must weigh safety concerns with respect for autonomy. These dilemmas can lead to situations where caregivers provide care against the will of persons living with dementia, referred to as involuntary treatment. To prevent this, insight is needed into how family caregivers of persons living with dementia deal with care situations that can lead to involuntary treatment.

Autoionizing resonances in time-dependent density functional theory.

Autoionizing resonances that arise from the interaction of a bound single-excitation with the continuum can be accurately captured with the presently used approximations in time-dependent density functional theory (TDDFT), but those arising from a bound double excitation cannot. In the former case, we explain how an adiabatic kernel, which has no frequency-dependence, can yet generate the strongly frequency-dependent resonant structures in the interacting response function, not present in the Kohn-Sham response function. In the case of the bound double-excitation, we explain that a strongly frequency-dependent kernel is needed, and derive one as an a posteriori correction to the usual adiabatic approximations in TDDFT.

Revisiting Molecular Dissociation in Density Functional Theory: A Simple Model.

A two-electron one-dimensional model of a heteroatomic molecule composed of two open-shell atoms is considered. Including only two electrons isolates and examines the effect that the highest occupied molecular orbital has on the Kohn-Sham potential as the molecule dissociates. We reproduce the characteristic step and peak that previous high-level wave function methods have shown to exist for real molecules in the low-density internuclear region.

Improved exchange-correlation potential for polarizability and dissociation in density functional theory.

The authors propose a novel approach to the problem of polarizabilities and dissociation in electric fields from the static limit of the Vignale-Kohn (VK) functional. The response to the purely scalar part of the VK response potential is considered. This potential has ground-state properties that notably improve over the full VK response density and over usual (semi-)local functionals.

On correlated electron-nuclear dynamics using time-dependent density functional theory.

We discuss possibilities and challenges for describing correlated electron and nuclear dynamics within a surface-hopping framework using time-dependent density functional theory (TDDFT) for the electron dynamics. We discuss the recent surface-hopping method proposed by Craig et al. [Phys.