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The applications of machine learning techniques to chemistry and materials science become more numerous by the day. The main challenge is to devise representations of atomic systems that are at the same time complete and concise, so as to…

Chemical Physics · Physics 2025-10-06 Michael J. Willatt , Felix Musil , Michele Ceriotti

We analyze quantitatively how imaging techniques with single-site resolution allow to measure thermodynamical properties that cannot be inferred from time-of-light images for the trapped Bose-Hubbard model. If the normal state extends over…

Quantum Gases · Physics 2013-05-29 Ping Nang Ma , Lode Pollet , Matthias Troyer

Preparation, manipulation, and detection of strongly correlated states of quantum many body systems are among the most important goals and challenges of modern physics. Ultracold atoms offer an unprecedented playground for realization of…

Other Condensed Matter · Physics 2008-09-25 Kai Eckert , Oriol Romero-Isart , Mirta Rodriguez , Maciej Lewenstein , Eugene S. Polzik , Anna Sanpera

We extend the localized operator partitioning method (LOPM) [J. Nagesh, A.F. Izmaylov, and P. Brumer, J. Chem. Phys. 142, 084114 (2015)] to the time-dependent density functional theory (TD-DFT) framework to partition molecular electronic…

Chemical Physics · Physics 2017-09-13 Jayashree Nagesh , Michael J. Frisch , Paul Brumer , Artur F. Izmaylov

We study the problem of two local potential scatterers in a d-wave superconductor, and show how quasiparticle bound state wave functions interfere. Each single-impurity electron and hole resonance energy is in general split in the presence…

Superconductivity · Physics 2009-11-07 Lingyin Zhu , W. A. Atkinson , P. J. Hirschfeld

We demonstrate a method to determine the position of single atoms in a three-dimensional optical lattice. Atoms are sparsely loaded from a far-off-resonant optical tweezer into a few vertical planes of a cubic optical lattice positioned…

A microscopically resolved picture of energy flow in atom-diatom collisions is essential for understanding the non-equilibrium chemistry in rarefied and hypersonic gas flow. Here, a comprehensive ensemble of quasi-classical trajectories on…

Chemical Physics · Physics 2025-12-11 Abhirami Vijayakumar , Raidel Martin-Barrios , Markus Meuwly

The `lid' algorithm performs an exhaustive exploration of neighborhoods of local energy minima of energy landscapes. This paper describes an implementation of the algorithm, including issues of parallel performance and scalability. To…

Computational Physics · Physics 2009-10-31 Paolo Sibani , Ruud van der Pas , J. Christian Schoen

Electronic density of states (DOS) is a key factor in condensed matter physics and material science that determines the properties of metals. First-principles density-functional theory (DFT) calculations have typically been used to obtain…

Materials Science · Physics 2019-04-12 Byung Chul Yeo , Donghun Kim , Chansoo Kim , Sang Soo Han

As the continual experimental advances made in Electron energy loss spectroscopy (EELS) and cathodoluminescence (CL) open the door to practical exploitations of plasmonic effects in metal nanoparticles, there is an increasing need for…

Mesoscale and Nanoscale Physics · Physics 2016-05-31 Yu Luo , Matthias Kraft , J. B. Pendry

For ultracold and Bose-condensed atoms contained in periodic optical potential wells the quantized nature of their motion is clearly visible. The motion of the atomic wavepacket can also be accurately controlled. For those systems the…

Condensed Matter · Physics 2007-05-23 O. Morsch , E. Arimondo

Local density-of-states (LDOS) is a fundamental spectral property that plays a central role in various physical phenomena such as wave-matter interactions. Here, we report on the direct measurement of the LDOS of acoustic systems and derive…

Mesoscale and Nanoscale Physics · Physics 2022-08-26 Hao Ge , Zi-Wei Long , Xiang-Yuan Xu , Yang Liu , Bi-Ye Xie , Jian-Hua Jiang , Ming-Hui Lu , Yan-Feng Chen

We use a real-space recursion method to calculate the local density of states (LDOS) within a model that contains both d-wave superconducting and antiferromagnetic order. We focus on the LDOS in the superconducting phase near single…

Superconductivity · Physics 2009-11-10 Linda Udby , Brian M. Andersen , Per Hedegard

It is shown that the elimination of the discrete transverse motion in a waveguide of arbitrary shape may be described in terms of a non-abelian gauge field for the longitudinal dynamics. This allows for an exact treatment of the scattering…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 S. Ulreich , W. Zwerger

In this study, we confirm the universality of density of microscopic states in non-interacting system; this means statistical interdependence is vanished in any lattices. This enable one to obtain information of configuration of solute…

Disordered Systems and Neural Networks · Physics 2017-02-03 Tetsuya Taikei , Kazuhito Takeuchi , Koretaka Yuge

A novel method of spectroscopy in ion traps termed leak-out spectroscopy (LOS) is presented. Here, mass selected, cold ions are excited by an infrared laser. In a subsequent collision with a neutral buffer gas particle their internal energy…

Chemical Physics · Physics 2023-01-11 Philipp C. Schmid , Oskar Asvany , Thomas Salomon , Sven Thorwirth , Stephan Schlemmer

We use a path integral approach to calculate the superfluid density of a Bose lattice gas in the limit where the number of atoms per site is large. Our analytical expressions agree with numerical results on small systems for low…

Quantum Gases · Physics 2012-09-13 Yariv Yanay , Erich J Mueller

We consider a gas of attractively interacting cold Fermionic atoms which are manipulated by laser light. The laser induces a transition from an internal state with large negative scattering length to one with almost no interactions. The…

Statistical Mechanics · Physics 2015-06-24 P. Torma , P. Zoller

Interactions between particles in quantum many-body systems play a crucial role in determining the electric, magnetic, optical, and thermal properties of the system. The recent progress in the laser-pulse technique has enabled the…

Strongly Correlated Electrons · Physics 2021-09-07 Nguyen Thanh Phuc , Pham Quang Trung

The main properties and methods of describing dipolar and spinor atomic systems, composed of bosonic atoms or molecules, are reviewed. The general approach for the correct treatment of Bose-condensed atomic systems with nonlocal interaction…

Quantum Gases · Physics 2018-05-09 V. I. Yukalov