Density Functional Response Calculations of Dispersion Coefficients C 6 and C 9 of Closed- and Open-Shell Systems

Abella, Laura; Autschbach, Jochen

doi:10.1021/acs.jpca.2c03610

Abstract For a subgraph$$G$$of the blow-up of a graph$$F$$, we let$$\delta ^*(G)$$be the smallest minimum degree over all of the bipartite subgraphs of$$G$$induced by pairs of parts that correspond to edges of$$F$$. Johansson proved that if$$G$$is a spanning subgraph of the blow-up of$$C_3$$with parts of size$$n$$and$$\delta ^*(G) \ge \frac{2}{3}n + \sqrt{n}$$, then$$G$$contains$$n$$vertex disjoint triangles, and presented the following conjecture of Häggkvist. If$$G$$is a spanning subgraph of the blow-up of$$C_k$$with parts of size$$n$$and$$\delta ^*(G) \ge \left(1 + \frac 1k\right)\frac n2 + 1$$, then$$G$$contains$$n$$vertex disjoint copies of$$C_k$$such that each$$C_k$$intersects each of the$$k$$parts exactly once. A similar conjecture was also made by Fischer and the case$$k=3$$was proved for large$$n$$by Magyar and Martin. In this paper, we prove the conjecture of Häggkvist asymptotically. We also pose a conjecture which generalises this result by allowing the minimum degree conditions in each bipartite subgraph induced by pairs of parts of$$G$$to vary. We support this new conjecture by proving the triangle case. This result generalises Johannson’s result asymptotically.

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