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Finite-range numerical atomic orbitals are the basis functions of choice for several first principles methods, due to their flexibility and scalability. Generating and testing such basis sets, however, remains a significant challenge for…

Chemical Physics · Physics 2013-11-12 Fabiano Corsetti , M. -V. Fernández-Serra , José M. Soler , Emilio Artacho

Many high-dimensional data sets suffer from hidden confounding which affects both the predictors and the response of interest. In such situations, standard regression methods or algorithms lead to biased estimates. This paper substantially…

Methodology · Statistics 2024-12-17 Cyrill Scheidegger , Zijian Guo , Peter Bühlmann

Warm Dark Matter (WDM) has been invoked to resolve apparent conflicts of Cold Dark Matter (CDM) models with observations on subgalactic scales. In this work we provide a new and independent lower limit for the WDM particle mass (e.g.…

Astrophysics · Physics 2009-11-13 M. Miranda , A. V. Macciò

We explore interacting dark matter (DM) models that allow DM and baryons to scatter off of each other with a cross section that scales with relative particle velocity. Using the effective field theory of large-scale structure, we perform…

Cosmology and Nongalactic Astrophysics · Physics 2025-06-03 Adam He , Mikhail M. Ivanov , Rui An , Trey Driskell , Vera Gluscevic

Loss-induced transmission in waveguides, and reversed pump dependence in lasers, are two prominent examples of counter-intuitive effects in non-Hermitian systems with patterned gain and loss. By analyzing the eigenvalue dynamics of complex…

Optics · Physics 2016-11-03 Alexander Cerjan , Shanhui Fan

Mixed states of a quantum system, represented by density operators, can be decomposed as a statistical mixture of pure states in a number of ways where each decomposition can be viewed as a different preparation recipe. However the fact…

Quantum Physics · Physics 2016-01-26 Sandeep K Goyal , Rajeev Singh , Sibasish Ghosh

This work investigates the problem of spatial covariance matrix estimation in a millimeter-wave (mmWave) hybrid multiple-input multiple-output (MIMO) system with an emphasis on the basis-mismatch effect. The basis mismatch is prevalent in…

Signal Processing · Electrical Eng. & Systems 2019-12-11 Chethan Kumar Anjinappa , Ali Cafer Gurbuz , Yavuz Yapici , Ismail Guvenc

Sparse Blind Source Separation (sparse BSS) is a key method to analyze multichannel data in fields ranging from medical imaging to astrophysics. However, since it relies on seeking the solution of a non-convex penalized matrix factorization…

Machine Learning · Computer Science 2018-12-18 Christophe Kervazo , Jerome Bobin , Cecile Chenot

Particle dampers represent a simple yet effective means to reduce unwanted oscillations when attached to structural components. Powder bed fusion additive manufacturing of metals allows to integrate particle inclusions of arbitrary shape,…

Computational Engineering, Finance, and Science · Computer Science 2023-02-17 Patrick M. Praegla , Thomas Mair , Andreas Wimmer , Sebastian L. Fuchs , Niklas Fehn , Michael F. Zaeh , Wolfgang A. Wall , Christoph Meier

We consider a model of an electric circuit, where differential algebraic equations for a circuit part are coupled to partial differential equations for an electromagnetic field part. An uncertainty quantification is performed by changing…

Numerical Analysis · Mathematics 2019-03-11 Roland Pulch , Sebastian Schöps

Reduced density matrix functional theory for the case of solids is presented and a new exchange correlation functional based on a fractional power of the density matrix is introduced. We show that compared to other functionals, this…

Materials Science · Physics 2009-11-13 S. Sharma , J. K. Dewhurst , N. N. Lathiotakis , E. K. U. Gross

We present model-assisted density fitting (MADF) basis set generator, an algorithm for generating primitive atomic Gaussian density fitting (DF) basis sets (DFBSs) from a contracted Gaussian orbital basis set (OBS). The MADF algorithm…

Chemical Physics · Physics 2025-10-14 Kshitijkumar A. Surjuse , Edward F. Valeev

The unprecedented quality of the data collected by the AMS-02 experiment onboard the International Space Station allowed us to address subtle questions concerning the origin and propagation of cosmic rays. Here we discuss the implications…

High Energy Astrophysical Phenomena · Physics 2019-06-05 Carmelo Evoli , Roberto Aloisio , Pasquale Blasi

The finite basis set errors for all-electron random-phase approximation (RPA) correlation energy calculations are analyzed for isolated atomic systems. We show that, within the resolution-of-identity (RI) RPA framework, the major source of…

Chemical Physics · Physics 2023-06-21 Hao Peng , Sixian Yang , Hong Jiang , Hongming Weng , Xinguo Ren

Coherent backscattering (CBS) arises from complex interactions of a coherent beam with randomly positioned particles, which has been typically studied in media with large numbers of scatterers and high opacity. We develop a first-principles…

Models for structure formation attempt to predict the power spectrum of density perturbations in the present universe from the initial power spectrum and the nature of dark matter. Observational constraints on the power spectrum at…

Astrophysics · Physics 2007-05-23 K. Subramanian , T. Padmanabhan

Non-Hermitian optics has revealed a series of counterintuitive phenomena with profound implications for sensing, lasing, and light manipulation. While the non-Hermiticity of Hamitonians is well-recognized, recent advancements in…

Optics · Physics 2024-04-19 Jipeng Xu , Yuanhao Mao , Jianfa Zhang , Biao Yang , Ken Liu , Zhihong Zhu

Band structure analysis is central to understanding wave propagation in periodic media; however, it becomes challenging in open systems owing to energy leakage. Photonic crystal (PhC) slabs exemplify such systems, featuring periodicity in…

Optics · Physics 2026-03-20 Jie Liu , Ziyun Peng , Qianju Song , Ang Chen , Liping Yang , Chunxiong Zheng , Dezhuan Han

Galaxies are biased tracers of the underlying cosmic web, which is dominated by dark matter components that cannot be directly observed. Galaxy formation simulations can be used to study the relationship between dark matter density fields…

Cosmology and Nongalactic Astrophysics · Physics 2024-03-19 Victoria Ono , Core Francisco Park , Nayantara Mudur , Yueying Ni , Carolina Cuesta-Lazaro , Francisco Villaescusa-Navarro

We study the behavior of a two-component plasma made up of non-additive hard disks with a logarithmic Coulomb interaction. Due to the Coulomb repulsion, long-wavelength total density fluctuations are suppressed and the system is globally…

Statistical Mechanics · Physics 2017-12-27 E. Lomba , J. J. Weis , S. Torquato