Analysis of Fractal Cluster Morphology Parameters: Structural Coefficient and Density Autocorrelation Function Cutoff

A critical analysis of electronic densit

A critical analysis of electronic density functionals for structural, energetic, dynamic, and magnetic properties of hydrogen fluoride clusters

✍ Maerker, Christoph; Schleyer, Paul Von R.; Liedl, Klaus R.; Ha, T.-K.; Quack, Ma 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 327 KB 👁 2 views

We present extensive computational results on density functional Ž . Ž . calculations for hydrogen fluoride species HF with 1 F n F 6 and compare n them to results from other approaches and experiments, where available. Among the calculated properties we discuss equilibrium structural parameters, vi