Finite rigid sets and homologically non-trivial spheres in the curve complex of a surface

Aramayona and Leininger have provided a "finite rigid subset" $\mathfrak{X}(\Sigma)$ of the curve complex $\mathscr{C}(\Sigma)$ of a surface $\Sigma = \Sigma^n_g$, characterized by the fact that any simplicial injection $\mathfrak{X}(\Sigma) \to \mathscr{C}(\Sigma)$ is induced by a unique element of the mapping class group $\mathrm{Mod}(\Sigma)$. In this paper we prove that, in the case of the sphere with $n\geq 5$ marked points, the reduced homology class of the finite rigid set of Aramayona and Leininger is a $\mathrm{Mod}(\Sigma)$-module generator for the reduced homology of the curve complex $\mathscr{C}(\Sigma)$, answering in the affirmative a question posed by Aramayona and Leininger. For the surface $\Sigma = \Sigma_g^n$ with $g\geq 3$ and $n\in \{0,1\}$ we find that the finite rigid set $\mathfrak{X}(\Sigma)$ of Aramayona and Leininger contains a proper subcomplex $X(\Sigma)$ whose reduced homology class is a $\mathrm{Mod}(\Sigma)$-module generator for the reduced homology of $\mathscr{C}(\Sigma)$ but which is not itself rigid.Comment: 21 pages, 7 figures; Section 4 revised along with minor corrections throughou

Kohn-Sham calculations combined with an average pair-density functional theory

A recently developed formalism in which Kohn-Sham calculations are combined with an ``average pair density functional theory'' is reviewed, and some new properties of the effective electron-electron interaction entering in this formalism are derived. A preliminary construction of a fully self-consitent scheme is also presented in this framework.Comment: submitted to Int. J. Mod. Phys. B (proceedings of the 30th International Workshop on Condensed Matter Theories

Comments on alternative calculations of the broadening of spectral lines of neutral sodium by H-atom collisions

With the exception of the sodium D-lines recent calculations of line broadening cross-sections for several multiplets of sodium by Leininger et al (2000) are in substantial disagreement with cross-sections interpolated from the tables of Anstee and O'Mara (1995) and Barklem and O'Mara (1997). The discrepancy is as large as a factor of three for the 3p-4d multiplet. The two theories are tested by using the results of each to synthesize lines in the solar spectrum. It is found that generally the data from the theory of Anstee, Barklem and O'Mara produce the best match to the observed solar spectrum. It is found, using a simple model for reflection of the optical electron by the potential barrier between the two atoms, that the reflection coefficient is too large for avoided crossings with the upper states of subordinate lines to contribute to line broadening, supporting the neglect of avoided ionic crossings by Anstee, Barklem and O'Mara for these lines. The large discrepancies between the two sets of calculations is a result of an approximate treatment of avoided ionic crossings for these lines by Leininger et al (2000).Comment: 18 pages, 5 ps figures included, to appear in J Phys B: At. Mol. Opt. Phy

Long-range-corrected hybrids including RPA correlation

We recently demonstrated a connection between the random phase approximation (RPA) and coupled cluster theory [J. Chem. Phys. 129, 231101 (2008)]. Based on this result, we here propose and test a simple scheme for introducing long-range RPA correlation into density functional theory. Our method provides good thermochemical results and models van derWaals interactions accurately.Comment: Accepted version of the manuscrip