English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Open

Presents the pdf analysis as premium feature

PDF Analysis

Insights

Presents the summarisation as premium feature

Summarisation

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

Density functional calculations are performed for ground [He]2s$^2$$^1$S$^e$, and three metastable bound excited states, 1s2s2p$^2$ $^5$P$^e$,1s2p$^3$ $^5$S$^o$, 1s2s2p3p $^5$P$^e$ of Li$^-$ and [He]2s2p$^2$ $^4$P$^e$,[He]2p$^3$ $^4$S$^o$, 1s2s2p$^3$ $^6$S$^o$ of Be$^-$ each. Thework-function-based exchange potential is used, while the correlation effectsare included by employing the Lee-Yang-Parr potential. The relevantnonrelativistic KS equation is solved by means of a generalized pseudospectraldiscretization scheme offering nonuniform and optimal spatial grid. Computedtotal energies, radial densities, selected density moments, as well as twotransition wavelengths (1s2s2p$^2$ $^5$P$^e \to$1s2p$^3$ $^5$S$^o$ of Li$^-$,[He]2s2p$^2$ $^4$P$^e \to$ [He]2p$^3$ $^4$S$^o$ of Be$^-$) show reasonably goodagreement with the available theoretical and experimental data. The termenergies show an absolute deviation of 0.007--0.171% with the largest deviationbeing observed for the even-parity $^5$P state of Li$^-$. The transitionwavelengths of Li$^-$, Be$^-$ are calculated within 0.891 and 0.438% of theexperimental values. This offers a simple practical route towards accuratereliable calculation of excited states of anions within density functionaltheory.

Ground and excited states of Li$^-$, Be$^-$ through a density-based approach