Results 151 to 160 of about 542,162 (354)

Analysis of density matrix embedding theory around the non‐interacting limit

open access: yesCommunications on Pure and Applied Mathematics, EarlyView.
Abstract This article provides the first mathematical analysis of the Density Matrix Embedding Theory (DMET) method. We prove that, under certain assumptions, (i) the exact ground‐state density matrix is a fixed‐point of the DMET map for non‐interacting systems, (ii) there exists a unique physical solution in the weakly‐interacting regime, and (iii ...
Eric Cancès   +4 more
wiley   +1 more source

Powers of Convex-Cyclic Operators

open access: yesAbstract and Applied Analysis, 2014
A bounded operator T on a Banach space X is convex cyclic if there exists a vector x such that the convex hull generated by the orbit Tnxn≥0 is dense in X. In this note we study some questions concerned with convex-cyclic operators. We provide an example
Fernando León-Saavedra   +1 more
doaj   +1 more source

High‐Pressure Stability and Electronic Properties of Sodium‐Rich Nitrides: Insights from First‐Principles Calculations

open access: yesChemPhysChem, EarlyView.
This work highlights how pressure‐induced IAEs rearrangements influence the thermodynamic stability and electronic behavior of these compounds, including metal‐to‐semiconductor transitions in P63/mmc Na5N and superconductivity in C2/m Na8N. Abstract Using first‐principles structure search calculations, we investigated the phase stability of sodium ...
Qiuyue Li   +5 more
wiley   +1 more source

Xylose Acetals ‐ a New Class of Sustainable Solvents and Their Application in Enzymatic Polycondensation

open access: yesChemSusChem, Volume 18, Issue 6, March 15, 2025.
Novel organic solvents with an unmodified carbohydrate core were synthesised both from D‐xylose and directly from biomass and were successfully used as reaction media for lipase biocatalysts to synthesise aliphatic and aromatic polyesters. Abstract The use of organic solvents in academic research and industry applications is facing increasing ...
Anastasia O. Komarova   +8 more
wiley   +1 more source

A Convex Hull Approach to Counterfactual Analysis of Trade Openness and Growth [PDF]

open access: yes
In this paper, we apply a convex hull approach to counterfactual analysis of trade openness and growth. The experiments we choose evaluate the importance of trade openness for growth across African countries. Specifically, we ask the question “what would
Marc Gronwald, Michael Funke
core  

A novel construction approach for the pore structure model principally focuses on the controllable roundness of rock particles

open access: yesDeep Underground Science and Engineering, EarlyView.
Particle rounding effects comparison of different methods: (a), (b), and (c) are the rounding results using the B‐spline curve method with different R; (d), (e), and (f) are the results of vertex rounding substitution method with different rounding radii.
Jiabin Dong   +6 more
wiley   +1 more source

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