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The routine atomic-resolution structure determination of single particles is expected to have profound implications for probing the structure-function relationship in systems ranging from energy materials to biological molecules.…

The advent of isolated and intense sub-femtosecond X-ray pulses enables tracking of quantummechanical motion of electrons in molecules and solids. The combination of X-ray spectroscopy and diffraction imaging is a powerful approach to…

We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating…

Materials Science · Physics 2017-02-16 Stefan Löffler , Viktoria Motsch , Peter Schattschneider

Electromagnetic interactions serve as essential probes for studying and testing our understanding of the atomic nucleus, as they reveal emergent properties across the nuclear chart. We analyse their corresponding observables, which relate…

Nuclear Theory · Physics 2026-05-13 J. Dobaczewski , B. C. Backes , R. P. de Groote , A. Restrepo-Giraldo , X. Sun , H. Wibowo

We study the occurrence of factorization in polarized and unpolarized observables in coincidence quasi-elastic electron scattering. Starting with the relativistic distorted wave impulse approximation, we reformulate the effective momentum…

Nuclear Theory · Physics 2009-11-10 Javier R. Vignote , M. C. Martinez , J. A. Caballero , E. Moya de Guerra , J. M. Udias

The fission process is a fascinating phenomenon in which the atomic nucleus, a compact self-bound mesoscopic system, undergoes a spontaneous or induced quantum transition into two or more fragments. A predictive, accurate and precise…

Nuclear Theory · Physics 2019-10-10 J. Dobaczewski

Disordered and hyperuniform structures of densely packed spheres near and at jamming are characterized by vanishing of long-wavelength density fluctuations, or equivalently by long-range power-law decay of the direct correlation function…

Statistical Mechanics · Physics 2021-10-04 Hiroshi Frusawa

Simulating entangled atoms is a prerequisite to modeling quantum materials and remains an outstanding challenge for theory. I introduce a correlated wavefunction approach capable of simulating large entangled systems, and demonstrate its…

Chemical Physics · Physics 2026-01-05 Benjamin G. Janesko

We present a quantum mechanical theory of optically induced dynamic nuclear polarization applicable to quantum dots and other interacting spin systems. The exact steady state of the optically driven coupled electron-nuclear system is…

Mesoscale and Nanoscale Physics · Physics 2019-02-04 Thomas Nutz , Edwin Barnes , Sophia E. Economou

We present the development of a new algorithm which combines state-of-the-art energy-dispersive X-ray (EDX) spectroscopy theory and a suitable machine learning formulation for the hyperspectral unmixing of scanning transmission electron…

A Josephson junction embedded in a dissipative circuit can be externally driven to induce nonlinear dynamics of its phase. Classically, under sufficiently strong driving and weak damping, dynamic multi-stability emerges associated with…

Mesoscale and Nanoscale Physics · Physics 2019-05-08 Jennifer Gosner , Björn Kubala , Joachim Ankerhold

Linear scaling density functional theory approaches to electronic structure are often based on the tendency of electrons to localize even in large atomic and molecular systems. However, in many cases of actual interest, for example in…

Chemical Physics · Physics 2022-03-25 Marcel David Fabian , Ben Shpiro , Roi Baer

We study the unidirectional transport of two-particle quantum wavepackets in a regular one-dimensional lattice. We show that the bound-pair state component behaves differently from unbound states when subjected to an external pulsed…

Quantum Physics · Physics 2017-08-22 A. R. C. Buarque , W. S. Dias

We build on the concept of eigenvector continuation to develop an efficient multi-state method for the rigorous and smooth interpolation of a small training set of many-body wavefunctions through chemical space at mean-field cost. The…

Chemical Physics · Physics 2024-05-02 Kemal Atalar , Yannic Rath , Rachel Crespo-Otero , George H. Booth

Practical density functional theory (DFT) owes its success to the groundbreaking work of Kohn and Sham that introduced the exact calculation of the non-interacting kinetic energy of the electrons using an auxiliary mean-field system.…

Chemical Physics · Physics 2023-11-17 P. del Mazo-Sevillano , J. Hermann

Nuclear Density Functional Theory (DFT) plays a prominent role in the understanding of nuclear structure, being the approach with the widest range of applications. Hohenberg and Kohn theorems warrant the existence of a nuclear Energy…

Nuclear Theory · Physics 2020-03-03 G. Accorto , P. Brandolini , F. Marino , A. Porro , A. Scalesi , G. Colò , X. Roca-Maza , E. Vigezzi

We have developed x-ray diffraction measurements with high energy-resolution and accuracy to study water structure at three different temperatures (7, 25 and 66 C) under normal pressure. Using a spherically curved Ge crystal an energy…

Soft Condensed Matter · Physics 2017-09-13 Congcong Huang , K. T. Wikfeldt , D. Nordlund , U. Bergmann , T. McQueen , J. Sellberg , L. G. M. Pettersson , A. Nilsson

The system formed in ultrarelativistic heavy-ion collisions behaves as a nearly-perfect fluid. This collective behavior is probed experimentally by two-particle azimuthal correlations, which are typically averaged over the properties of one…

Nuclear Theory · Physics 2013-03-28 Fernando G. Gardim , Frederique Grassi , Matthew Luzum , Jean-Yves Ollitrault

Partially ionized plasma physics has attracted a lot of attention recently due to numerous technological applications made possible by the increased sophistication of computer modelling, the depth of the theoretical analysis, and the…

Plasma Physics · Physics 2026-01-06 Igor Kaganovich , Michael Tendler

Although the classical density functional theory (DFT) of inhomogeneous fluids was formulated more than four decades ago, its application to broken symmetry phases of molecular systems remained a challenge. Approximate free energy…

Statistical Mechanics · Physics 2026-05-19 Yashwant Singh