Zilin Jiang
Arizona State University
December 7, 2025
Joint work with Hricha Acharya and Benjamin Jeter


Subcubic graphs
maximum degree at most 3
Eigenvalues of adjacency matrix
$\lambda_1 \ge \dots \ge \lambda_n$
Median eigenvalues
$\lambda_h = \lambda_{\lfloor (n+1)/2 \rfloor}, \lambda_l = \lambda_{\lceil (n+1)/2 \rceil}$
| Chemistry | Mathematics |
|---|---|
| Organic molecules | Chemical graphs (connected + subcubic) |
| $\pi$-electron energy levels | Eigenvalues |
| Highest occupied molecular orbital energy | $\lambda_h$ |
| Lowest unoccupied molecular orbital energy | $\lambda_l$ |
| Kinetic stability | $\lambda_h - \lambda_l$ |
Computations Most chemical graphs have
median eigenvalues in $[-1,1]$, with single exception

Eigenvalues $-3, (-\sqrt2)^6, (\sqrt2)^6, 3$
Conjecture Median eigenvalues of all but finite chemical graphs are in $[-1,1]$
Optimality
Guo & Mohar constructed infinitely many bipartite chemical graphs with median eigenvalues $\pm 1$
Fowler & Pisanski 2010 Subcubic trees
Mohar 2013 Planar bipartite chemical graphs
Mohar 2016 Bipartite chemical graphs except Heawood
Several other supplementary results
Acharya, Jeter, J., 2025
All chemical graphs except Heawood
For simplicity, only focus on $\lambda_h \le 1$
Take maximum cut $(A, B)$ of $G$
Additional assumption $\lvert A\rvert < \lvert B\rvert$
Observation
Maximum degree of $G[B] \le 1$ and $\lambda_1(G[B]) \le 1$
Cauchy interlacing
$\lambda_{1 + \lvert A \rvert}(G) \le 1$ and $\lambda_h(G) \le 1$
Maximum cut $(A, B)$ satisfies $\lvert A\rvert = \lvert B\rvert$
Idea Move $k$ vertices $C$ from $A$ to $B$ s.t.
$\lambda_k(G[B \cup C]) \le 1$
Cauchy $\lambda_{k + \lvert A \setminus C \rvert}(G) \le 1$, and $\lambda_h(G) \le 1$
Note Most of $G[B \cup C]$ are independent edges
Only care about components that contain $C$
Goal Find tail reducer $C$ π
Idea Move $k$ vertices $C$ from $A$ to $B$ s.t.
$\lambda_k(G[B \cup C]) \le 1$
Goal Find tail reducer $C$ π
Note Cut-set of $(A \oplus D, B \oplus D)$
cannot be bigger than that of $(A, B)$
Rule No cut enhancer $D$ π
Goal Find tail reducer $C$ π
Rule No cut enhancer $D$ π
Lemma If $ab$ is an edge of $G[A]$
then degree of $a$ is $3$ or $\{ a \}$ is tail reducer
Lemma If $ab$ is an edge of $G[A]$
then degree of $a$ is $3$ or $\{ a \}$ is tail reducer
Case 1: $a$ is of degree $1$
Cut enhancer π
Lemma If $ab$ is an edge of $G[A]$
then degree of $a$ is $3$ or $\{ a \}$ is tail reducer
Case 2: $a$ is of degree $2$ β $a$ has a neighbor $c$ in $B$
Case 2.1: $c$ has a neighbor in $B$ β cut enhancer π
Case 2.2: $c$ has no neighbor in $B$β tail reducer π
Goal Find tail reducer $C$ π
Rule No cut enhancer $D$ π
Trick Flip cut preserver β¨
Goal Find tail reducer $C$ π
Rule No cut enhancer $D$ π
Trick Flip cut preserver β¨
Underlying multigraph $M$
Vertices: edges of $G[A] \cup G[B]$
Edges: $k$ edges between $\alpha$ and $\beta$ if $G[\alpha, \beta]$ has $k$ edges
Underlying multigraph $M$
Acharya, Jeter, J., 2025
Every chemical graph except Heawood
has median eigenvalues in $[-1, 1]$
All arguments are "local"
Positive fraction $\varepsilon n$ middle eigenvalues $\subset [-1, 1]$
Mohar 2016 Positive fraction for bipartite
chemical graphs except Heawood
Guo & Royle 2025 Classified all connected cubic graphs without eigenvalues in $(-1, 1)$
In particular, classified those
with $\lambda_h \ge 1$ and $\lambda_l \le -1$
Problem Classify those with $\lambda_l \ge 1$ or $\lambda_h \le -1$?
Mohar & Tayfeh-Rezaie 2015 Median eigenvalues of every connected bipartite $G$ with maximum degree at most $d$ are in $[-\sqrt{d-2}, \sqrt{d-2}]$, unless $G$ is incidence graph of projective plane of order $d-1$
Optimality of $\sqrt{d-2}$ for $d \ge 4$?
Remove bipartiteness? Mohar $\sqrt{d}$.
Improve to $\sqrt{d-1}$? Improve to $\sqrt{d-2}$?
