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Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…

Chemical Physics · Physics 2025-09-10 Siu Wun Cheung , Youngsoo Choi , Jean-Luc Fattebert , Daniel Osei-Kuffuor

Quantum-logic techniques used to manipulate quantum systems are now increasingly being applied to molecules. Previous experiments on single trapped diatomic species have enabled state detection with excellent fidelities and highly precise…

Quantum Physics · Physics 2025-03-18 Kaveh Najafian , Ziv Meir , Mudit Sinhal , Stefan Willitsch

Systems involving N-identical interacting particles under quantum confinement appear in many areas of physics, including chemical, condensed matter, and atomic physics. We discuss a beyondmean- field perturbation method that is applicable…

Atomic Physics · Physics 2007-05-23 W. B. Laing , M. Dunn , J. G. Loeser , D. K. Watson

This technical note describes the FluidFlower concept, a new laboratory infrastructure for geological carbon storage research. The highly controlled and adjustable system produces a strikingly visual physical ground truth of studied…

The combination of configuration interaction and many-body perturbation theory methods (CI+MBPT) is extended to non-perturbatively include configurations with electron holes below the designated Fermi level, allowing us to treat systems…

Atomic Physics · Physics 2016-07-13 J. C. Berengut

This paper focuses on designing a particle filter for randomly delayed measurements with an unknown latency probability. A generalized measurement model is adopted which includes measurements that are delayed randomly by an arbitrary but…

Signal Processing · Electrical Eng. & Systems 2018-03-22 Ranjeet Kumar Tiwari , Shovan Bhaumik , Paresh Date

We calculate ground-state energies and densities of a helium atom confined in an impenetrable spherical box within density functional theory. These calculations are performed by variationally solving Kohn-Sham equation with the ground-state…

Atomic Physics · Physics 2010-06-24 Subhajit Waugh , Avijit Chowdhury , Arup Banerjee

We develop an inhomogeneous mean-field theory for the extended Bose-Hubbard model with a quadratic, confining potential. In the absence of this potential, our mean-field theory yields the phase diagram of the homogeneous extended…

Quantum Gases · Physics 2012-02-01 Jamshid Moradi Kurdestany , Ramesh V. Pai , Rahul Pandit

The measurement process for hidden-configuration formulations of quantum mechanics is analysed. It is shown how a satisfactory description of quantum measurement can be given in this framework. The unified treatment of hidden-configuration…

Quantum Physics · Physics 2009-10-30 Giulio Peruzzi , Alberto Rimini

We propose an alternative formulation of Many-Body Perturbation Theory that uses the density-functional concept. Instead of the usual four-point integral equation for the polarizability, we obtain a two-point one, that leads to excellent…

Other Condensed Matter · Physics 2010-07-01 Fabien Bruneval , Francesco Sottile , Valerio Olevano , Rodolfo Del Sole , Lucia Reining

In this work we combine density functional theory and quantum transport calculations to study the influence of atomic--scale defects on the work function and field emission characteristics of metal surfaces. We develop a general methodology…

Mesoscale and Nanoscale Physics · Physics 2019-10-30 Heikki Toijala , Kristjan Eimre , Andreas Kyritsakis , Vahur Zadin , Flyura Djurabekova

We present a machine learning-based approach for characterising the environment that affects the dynamics of an open quantum system. We focus on the case of an exactly solvable spin-boson model, where the system-environment interaction,…

Absorption imaging is a commonly adopted method to acquire, with high temporal resolution, spatial information on a partially transparent object. It relies on the interference between a probe beam and the coherent response of the object. In…

It is shown that 'non-quantum systems', with anomalous statistical properties, would carry a distinctive experimental signature. Such systems can exist in deterministic hidden-variables theories (such as the pilot-wave theory of de Broglie…

Quantum Physics · Physics 2009-11-10 Antony Valentini

An understanding of quantum theory in terms of new, underlying descriptions capable of explaining the existence of non-classical correlations, non-commutativity of measurements and other unique and counter-intuitive phenomena remains still…

Quantum Physics · Physics 2025-05-12 Yasmin Navarrete , Sergio Davis

Aharonov-Bohm (AB) caging is the complete wavefunction localization effect in translational-invariant lattices induced by destructive phase interference. These phases originate from the gauge fields such as the penetrated magnetic fields,…

Quantum Physics · Physics 2026-05-25 Le-Chuan Wang , Sai Li , Jia Liu , Zheng-Yuan Xue

This work presents the formalism and implementation of excited state nuclear forces within density functional linear response theory (TDDFT) using a plane wave basis set. An implicit differentiation technique is developed for computing…

Other Condensed Matter · Physics 2009-11-11 Nikos L. Doltsinis , D. S. Kosov

Measurement of a quantum system provides information concerning the state in which it was prepared. In this paper we show how the retrodictive formalism can be used to evaluate the probability associated with any one of a given set of…

Quantum Physics · Physics 2016-09-08 Stephen M. Barnett , David T. Pegg , John Jeffers , Ottavia Jedrkiewicz

The absorption features of olivine in visible and near-infrared (VNIR) reflectance spectra are the key spectral parameters in its mineralogical studies. Generally, these spectral parameters can be obtained by exploiting the Modified…

Instrumentation and Methods for Astrophysics · Physics 2020-09-02 Hui-Jie Han , Xiao-Ping Lu , Ya-Zhou Yang , Hao Zhang , Admire Muchimamui Mutelo

Bohr's complementarity principle is of fundamental historic and conceptual importance for Quantum Mechanics (QM), and states that, with a given experimental apparatus configuration, one can observe either the wave-like or the particle-like…

Quantum Physics · Physics 2021-02-18 Mauro B. Pozzobom , Marcos L. W. Basso , Jonas Maziero