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The non-crossing rule for the energy levels of a parameter-dependent Hamiltonian is revisited and a flaw in a commonly accepted proof is revealed. Some aspects of avoided crossings are illustrated by means of simple models. One of them…
We have integrated density functional theory (DFT) into quantitative convergent-beam electron diffraction (QCBED) to create a synergy between experiment and theory called QCBED-DFT. This synergy resides entirely in the electron density…
An overview of recent advances in the theory of critical phenomena in $d$-dimensional weakly anisotropic systems is given. On the basis of a generalized shear transformation between anisotropic and isotropic systems, exact and approximate…
The B-series composition theorem has been an important topic in numerical analysis of ordinary differential equations for the past-half century. Traditional proofs of this theorem rely on labelled trees, whereas recent developments in…
We provide a necessary and sufficient condition that $L^p$-norms, $2<p<6$, of eigenfunctions of the square root of minus the Laplacian on 2-dimensional compact boundaryless Riemannian manifolds $M$ are small compared to a natural power of…
We study a capacity theory based on a definition of Haj{\l} asz-Besov functions. We prove several properties of this capacity in the general setting of a metric space equipped with a doubling measure. The main results of the paper are lower…
This paper is concerned with the structure of the set of Riemannian metrics on a connected manifold such that the corresponding Laplace--Beltrami operator has an eigenvalue of a given multiplicity. The starting point of our investigation is…
Carleson showed that the Bergman space for a domain on the plane is trivial if and only if its complement is polar. Here we give a quantitative version of this result. One is the Suita conjecture, established by the first-named author in…
In this note, we find a new way to prove several properties of 2-alternating capacities.
The constrained electron density method of embedding a Kohn-Sham system in a substrate system (first described by P. Cortona, Phys. Rev. B {\bf 44}, 8454 (1991) and T.A. Wesolowski and A. Warshel, J. Phys. Chem {\bf 97}, 8050 (1993)) is…
Understanding Transformer-based models has attracted significant attention, as they lie at the heart of recent technological advances across machine learning. While most interpretability methods rely on running models over inputs, recent…
This paper, dating from May 1991, contains preliminary (and unpublishable) notes on investigations about iteration trees. They will be of interest only to the specialist. In the first two sections I define notions of support and embeddings…
We prove two generalizations of the matrix-tree theorem. The first one, a result essentially due to Moon for which we provide a new proof, extends the ``all minors'' matrix-tree theorem to the ``massive'' case where no condition on row or…
One of the fundamental properties of the Mandelbrot set is that the set of postcritically finite parameters is structured like a tree. We extend this result to the set of quadratic kneading sequences and show that this space contains no…
We prove some Sawyer-type characterizations for multilinear fractional maximal function for the upper triangle case. We also provide some two-weight norm estimates for this operator. As one of the main tools, we use an extension of the…
In this paper we study the embedding of Riemannian manifolds in low codimension. The well-known result of Nash and Kuiper says that any short embedding in codimension one can be uniformly approximated by $C^1$ isometric embeddings. This…
With few systems of technological interest having been studied as extensively as elemental silicon, there currently exists a wide disparity between the number of predicted low-energy silicon polymorphs and those, which have been…
For suitable kernels on a locally compact space $X$, we develop a theory of inner balayage of quite general Radon measures $\omega$ (not necessarily of finite energy) to arbitrary $A\subset X$. In the case where $A$ is Borel, this theory…
In this series of two papers, we will prove a natural matrix weighted $T1$ theorem for matrix kernelled CZOs. In the current paper, we will prove matrix weighted norm inequalities for matrix symbolled paraproducts via a general matrix…
A framework for developing new approximate electronic structure methods is presented, in which the correlation energy of a many-electron system in the ground state is computed as in the single-reference second-order many-body perturbation…