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Physics Preprint PDF DOI

Kohn-Sham Hamiltonian from Effective Field Theory: Quasiparticle Band Narrowing from Frozen Core Dynamics

Xiansheng Cai, Han Wang, Kun Chen · 2026

Kohn-Sham (KS) eigenvalues are routinely compared with angle-resolved photoemission (ARPES) and used as input for many-body methods, yet density functional theory (DFT) assigns them no physical meanin…

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Physics Preprint PDF DOI

Identifying strong correlation using only the Kohn-Sham density of one-electron states

Daniel D. Rivera, Gustavo M. Dalpian, John P. Perdew · 2026

Strongly correlated systems have long been a central and highly non-trivial topic in condensed matter physics. At the non-interacting level, strong correlation can be associated with powerful (near) d…

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Mathematics Preprint PDF DOI

Sharp condition-number bounds for growth factors of Higham matrices in Gaussian elimination

Teng Zhang · 2026

Higham's conjecture on the growth factor of complex symmetric positive definite matrices is a longstanding problem in the stability theory of Gaussian elimination without pivoting. It asserts that eve…

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AI & Data Science Preprint PDF DOI

MeshLAM: Feed-Forward One-Shot Animatable Textured Mesh Avatar Reconstruction

Yisheng He, Steven Hoi · 2026

We introduce MeshLAM, a feed-forward framework for one-shot animatable mesh head reconstruction that generates high-fidelity, animatable 3D head avatars from a single image. Unlike previous work that …

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AI & Data Science Preprint PDF DOI

The Geometric Canary: Predicting Steerability and Detecting Drift via Representational Stability

Prashant C. Raju · 2026

Reliable deployment of language models requires two capabilities that appear distinct but share a common geometric foundation: predicting whether a model will accept targeted behavioral control, and d…

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Biology & Life Sciences Preprint PDF DOI

Geometric coherence of single-cell CRISPR perturbations reveals regulatory architecture and predicts cellular stress

Prashant C. Raju · 2026

Genome engineering has achieved remarkable sequence-level precision, yet predicting the transcriptomic state that a cell will occupy after perturbation remains an open problem. Single-cell CRISPR scre…

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AI & Data Science Preprint PDF DOI

H-SPAM: Hierarchical Superpixel Anything Model

Julien Walther, Remi Giraud, Michael Clement · 2026

Superpixels offer a compact image representation by grouping pixels into coherent regions. Recent methods have reached a plateau in terms of segmentation accuracy by generating noisy superpixel shapes…

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Physics Preprint PDF DOI

Strictly correlated electrons in a quantum ring: from Kohn-Sham to Kantorovich potentials

Thiago Carvalho Corso · 2026

Our goal in this paper is twofold. First, we characterize the class of pairwise interactions for which the Seidl conjecture on the structure of optimal plans for the symmetric multimarginal optimal tr…

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Mathematics Preprint PDF DOI

Extremal Mostar Index of Graphs with Given Number of Cut Edges

Sunilkumar M. Hosamani · 2026

The Mostar index of a connected graph \(G\) is defined as \[ Mo(G)=\sum_{uv\in E(G)}\bigl|n_u(uv)-n_v(uv)\bigr|, \] where for an edge \(e=uv\), \(n_u(e)\) denotes the number of vertices of \(G\) that …

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AI & Data Science Preprint PDF DOI

Topological Characterization of Churn Flow and Unsupervised Correction to the Wu Flow-Regime Map in Small-Diameter Vertical Pipes

Brady Koenig, Sushovan Majhi, Atish Mitra, Abigail Stein, Burt Todd · 2026

Churn flow-the chaotic, oscillatory regime in vertical two-phase flow-has lacked a quantitative mathematical definition for over $40$ years. We introduce the first topology-based characterization usin…

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Chemistry Preprint PDF DOI

PyGSC: A Python tool for correcting Kohn-Sham orbital energies by mitigating the delocalization error of density functional approximations

Zipeng An, Xiaolong Yang, Xiao Zheng, Weitao Yang · 2026

Density functional approximations (DFAs) suffer from delocalization error, which limits their accuracy in predicting electron affinities (EAs), ionization potentials (IPs), and quasiparticle energies.…

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Mathematics Preprint PDF DOI

On higher dimensional integrality and multiplicative dependence in semigroup algebraic dynamics

Jorge Mello, Yu Yasufuku · 2026

We study multiplicative dependence of points in semigroup orbits in higher dimensions. More specifically, we show that the non-density of integral points in semigroup orbits implies sparsity of multip…

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Chemistry Preprint PDF DOI

A unified variational framework for the inverse Kohn-Sham problem

Nan Sheng · 2026

The inverse Kohn-Sham (KS) problem seeks a local effective potential whose noninteracting ground state reproduces a prescribed electron density. Existing inversion formulations are often expressed in …

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Chemistry Preprint PDF DOI

Exact density-functional theory as parallel ensemble variational hierarchies: from Lieb's formulation to Kohn-Sham theory

Nan Sheng · 2026

Exact density-functional theory is reconstructed here from its convex variational structure as two parallel exact ensemble hierarchies: an interacting hierarchy rooted in Lieb's ensemble formulation a…

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Chemistry Preprint PDF DOI

Stable, Fast, and Accurate Kohn-Sham Inversion in Gaussian Basis for Open Shell Molecular and Condensed Phase Systems via Density Matrix Penalization

Ziwei Chai, Sandra Luber · 2026

Here we present a density matrix based KS inversion method formulated entirely within a Gaussian basis representation to optimize a KS potential matrix that reproduces a target electron density. Inver…

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Mathematics Preprint PDF DOI

Large values of logarithmic derivatives of quadratic Dirichlet $L$-functions

Zikang Dong, Haidong Li · 2026

In this article, we apply the resonance method to derive conditional Omega results for logarithmic derivatives of quadratic Dirichlet $L$-functions. We improve a previous result of Mortada and Murty \…

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Chemistry Preprint PDF DOI

Note on a rigorous derivation of self-consistent double-hybrid functional theory via generalized Kohn-Sham theory and cumulant approximation

Lan Nguyen Tran · 2026

In this short note, we present a rigorous derivation of the one-body double-hybrid density functional (OBDHF) theory, a self-consistent double-hybrid density functional framework that unifies the gene…

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Physics Preprint PDF DOI

Symmetry-enforced agreement of Kohn--Sham and many-body Berry phases in the SSH--Hubbard chain

Kai Watanabe · 2026

We study when a density-matching Kohn--Sham (KS) description can reproduce a many-body Berry phase in a correlated insulator, despite the fact that geometric phases are functionals of the wave functio…

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AI & Data Science Preprint PDF DOI

FewMMBench: A Benchmark for Multimodal Few-Shot Learning

Mustafa Dogan, Ilker Kesen, Iacer Calixto, Aykut Erdem, Erkut Erdem · 2026

As multimodal large language models (MLLMs) advance in handling interleaved image-text data, assessing their few-shot learning capabilities remains an open challenge. In this paper, we introduce FewMM…

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Physics Preprint PDF DOI

Chromaticity-Optimized Antenna Design and Bayesian Foreground Validation for the CANTAR Global 21 cm Experiment

Michelle Mora, German Chaparro, Juan D. Guerrero, Catalina Alzate, Juan P. Urrego, Jimena Giraldo, Pablo Cuartas-Restrepo, Julian Rodriguez-Ferreira, Oscar Restrepo · 2026

Detecting the global 21 cm signal from the epoch of reionization remains a major observational challenge due to bright foregrounds and instrumental systematics. As part of the Colombian Antarctic Tele…

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