Eigenvalue asymptotics for the one-particle density matrix
The author derives an asymptotic formula for the eigenvalues of the one-particle density of bound state wave functions of atoms and molecules. More precisely, consider the \(N\)-particle Schrödinger operator \[ H = \sum_{i=1}^N \left( -\Delta_i - \frac{Z}{|x_i|} \right) + \sum_{1 \leq i < j \leq N} \frac{1}{|x_i-x_j|}, \] describing an atom with \(N\) electrons (Hamiltonians describing molecules can also be treated.) in the electric field of a nucleus with charge \(Z>0\). Here \(\Delta_i\) denotes the Laplacian acting on the coordinate \(x_i \in \mathbb{R}^3\) of the \(i\)-th particle. The author proves the following statement: Assume that \(\psi\) is an eigenfunction of \(H\) that satisfies the decay estimate \(|\psi(x)| \leq C \exp(-\kappa |x|)\) for some \(C,\kappa>0\). Let \(\{ \lambda_k \}_{k=1}^{\infty}\) be the eigenvalues (in non-increasing order) of the one-particle density matrix of \(\psi\). Then \[ \lim_{k \to \infty} k^{8/3} \lambda_k = A^{8/3} \] with an explicit constant \(A \geq 0\). The proof is based on: (a) a precise understanding of the regularity of \(\psi\) that has been obtained in [\textit{S. Fournais} et al., Commun. Math. Phys. 289, No. 1, 291--310 (2009; Zbl 1171.35110)], (b) results for the behavior of eigenvalues for a wide class of integral operators in [\textit{M. Svärd} et al., Appl. Numer. Math. 58, No. 8, 1142--1158 (2008; Zbl 1139.76040); \textit{M. Sh. Birman} and \textit{M. Z. Solomyak}, Vestn. Leningr. Univ., Mat. Mekh. Astron. 1977, No. 3, 13--21 (1977; Zbl 0377.47033); Usp. Mat. Nauk 32, No. 1(193), 17--84 (1977; Zbl 0344.47021); \textit{M. Sh. Birman} and \textit{M. Z. Solomyak}, Vestn. Leningr. Univ., Mat. Mekh. Astron. 1979, No. 3, 5--10 (1979; Zbl 0439.47040)], (c) some bounds obtained by the author in [J. Spectr. Theory 12, No. 2, 857--875 (2022; Zbl 1505.35119)].
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