Median eigenvalues of subcubic graphs

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

Hricha Acharya
Benjamin Jeter

Median eigenvalues of subcubic graphs

Subcubic graphs
maximum degree at most 3

Eigenvalues of adjacency matrix
$\lambda_1 \ge \dots \ge \lambda_n$

Median eigenvalues
$\lambda_h = \lambda_{\lfloor (n+1)/2 \rfloor}, \lambda_l = \lambda_{\lceil (n+1)/2 \rceil}$

HΓΌckel Model Theory

ChemistryMathematics
Organic molecules Chemical graphs
(connected + subcubic)
$\pi$-electron energy levelsEigenvalues
Highest occupied molecular orbital energy$\lambda_h$
Lowest unoccupied molecular orbital energy$\lambda_l$
Kinetic stability$\lambda_h - \lambda_l$

Fowler & Pisanski 2010

Computations Most chemical graphs have
median eigenvalues in $[-1,1]$, with single exception

Heawood graph

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

Proof

0%
  • 1% of proof for 99% of cases
  • 99% of proof for 1% of cases

For simplicity, only focus on $\lambda_h \le 1$

Proof for 99%

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 $\lambda_h(G) \le 1$

Proof for 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 $C$ πŸŽ‰

Idea Move $k$ vertices $C$ from $A$ to $B$ s.t.
$\lambda_k(G[B \cup C]) \le 1$

Goal Find tail reducer $C$ πŸŽ‰

Note Cut-set of $(A \oplus D, B \oplus D)$
cannot be bigger than that of $(A, B)$

Rule No cut enhancer $D$ πŸ’€

Game

Goal Find tail reducer $C$ πŸŽ‰

Rule No cut enhancer $D$ πŸ’€

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

ab

Case 1: $a$ is of degree $1$
Cut enhancer πŸ’€

Lemma If $ab$ is an edge of $G[A]$
then degree of $a$ is $3$ or $\{ a \}$ is tail reducer

cab

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 πŸ’€
Case 2.2: $c$ has no neighbor in $B$β€” tail reducer πŸŽ‰

Game

Goal Find tail reducer $C$ πŸŽ‰
Rule No cut enhancer $D$ πŸ’€
Trick Flip cut preserver ✨

Game

Goal Find tail reducer $C$ πŸŽ‰
Rule No cut enhancer $D$ πŸ’€
Trick Flip cut preserver ✨

Levels

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

Levels

Underlying multigraph $M$

  • $M$ has multiple edges
  • $M$ has an isolated vertex
  • $M$ contains a $P_5$
  • $M$ contains a $C_4$
  • $M$ contains a $P_4$
  • $M$ contains a $P_3$
  • $M$ contains a $P_2$

Statistics

  • 24 tail reducers for $\lambda_h \le 1$
  • 40 tail reducers for $\lambda_l \ge -1$
  • Case 4.4.3.3.3.2.2.2
  • 54 pages, 170 figures

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

Further problems

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 $\sqrt{d-2}$?

Toronto, the summer everything slowed down
Zilin Jiang
Arizona State University
[email protected]