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271 Results Found

  • Article
  • Open Access
8 Citations
3,551 Views
12 Pages

3 September 2021

Organic-molecule fluorophores with emission wavelengths in the second near-infrared window (NIR-II, 1000–1700 nm) have attracted substantial attention in the life sciences and in biomedical applications because of their excellent resolution and sensi...

  • Article
  • Open Access
2 Citations
4,001 Views
20 Pages

The Role of Relativistic Many-Body Theory in Electron Electric Dipole Moment Searches Using Cold Molecules

  • V. S. Prasannaa,
  • A. Sunaga,
  • M. Abe,
  • M. Hada,
  • N. Shitara,
  • A. Sakurai and
  • B. P. Das

10 June 2019

In this review article, we survey some of our results pertaining to the search for the electric dipole moment of the electron (eEDM), using heavy polar molecules. In particular, we focus on the relativistic coupled cluster method (RCCM) and its appli...

  • Article
  • Open Access
1 Citations
774 Views
14 Pages

18 May 2025

A probabilistic basis for Parametrized Relativistic Quantum Theory (PRQT) has been developed for multicomponent eigenvectors and many-body applications in flat spacetime. This paper presents an extension of the multicomponent, many-body PRQT formalis...

  • Review
  • Open Access
14 Citations
4,175 Views
21 Pages

24 August 2021

Ab initio Quantum-Mechanical methods are well-established tools for material characterization and discovery in many technological areas. Recently, state-of-the-art approaches based on density-functional theory and many-body perturbation theory were s...

  • Article
  • Open Access
4 Citations
3,382 Views
16 Pages

9 July 2021

The variance of the position operator is associated with how wide or narrow a wave-packet is, the momentum variance is similarly correlated with the size of a wave-packet in momentum space, and the angular-momentum variance quantifies to what extent...

  • Article
  • Open Access
60 Citations
9,175 Views
34 Pages

30 June 2002

Some recent advances in the area of multi-reference coupled-cluster theory of the state-universal type are overviewed. An emphasis is placed on the following new developments: (i) the idea of combining the state-universal multi-reference coupled-clus...

  • Article
  • Open Access
3 Citations
1,264 Views
17 Pages

11 December 2024

In standard bosonic Josephson junctions (BJJs), particles tunnel between two single-well potentials linked by a finite barrier. The dynamics of standard BJJs have been extensively studied, both at the many-body and mean-field levels of theory. In the...

  • Article
  • Open Access
2 Citations
2,557 Views
8 Pages

22 November 2021

Recently, there has been increased interest in developing advanced bright sources for lithography. Sn ions are particularly promising due to their bright emission spectrum in the required wavelength range. Cowan’s code has been used to model the emis...

  • Review
  • Open Access
4 Citations
3,881 Views
26 Pages

Recent Progress in Lattice Density Functional Theory

  • T. S. Müller,
  • W. Töws and
  • G. M. Pastor

Recent developments in the density-functional theory of electron correlations in many-body lattice models are reviewed. The theoretical framework of lattice density-functional theory (LDFT) is briefly recalled, giving emphasis to its universality and...

  • Article
  • Open Access
4 Citations
3,073 Views
13 Pages

Relativistic Configuration-Interaction and Perturbation Theory Calculations for Heavy Atoms

  • Igor M. Savukov,
  • Dmytro Filin,
  • Pinghan Chu and
  • Michael W. Malone

30 November 2021

Heavy atoms present challenges to atomic theory calculations due to the large number of electrons and their complicated interactions. Conventional approaches such as calculations based on Cowan’s code are limited and require a large number of p...

  • Article
  • Open Access
9 Citations
4,443 Views
18 Pages

Low-Energy Electron Inelastic Mean Free Path of Graphene Measured by a Time-of-Flight Spectrometer

  • Ivo Konvalina,
  • Benjamin Daniel,
  • Martin Zouhar,
  • Aleš Paták,
  • Ilona Müllerová,
  • Luděk Frank,
  • Jakub Piňos,
  • Lukáš Průcha,
  • Tomáš Radlička and
  • Wolfgang S. M. Werner
  • + 1 author

18 September 2021

The detailed examination of electron scattering in solids is of crucial importance for the theory of solid-state physics, as well as for the development and diagnostics of novel materials, particularly those for micro- and nanoelectronics. Among othe...

  • Review
  • Open Access
882 Views
28 Pages

22 September 2025

Spin waves represent an important class of low-energy excitations in magnetic solids, which influence the thermodynamic properties and play a major role in technical applications, such as spintronics or magnetic data storage. Despite the enormous adv...

  • Article
  • Open Access
23 Citations
11,595 Views
16 Pages

9 December 2016

Using many-body dissipative particle dynamics (MDPD), polymer solutions with concentrations spanning dilute and semidilute regimes are modeled. The parameterization of MDPD interactions for systems with liquid–vapor coexistence is established by mapp...

  • Feature Paper
  • Review
  • Open Access
13 Citations
5,124 Views
17 Pages

5 September 2018

We review a theory that predicts the onset of thermalization in a quantum mechanical coupled non-linear oscillator system, which models the vibrational degrees of freedom of a molecule. A system of N non-linear oscillators perturbed by cubic anharmon...

  • Article
  • Open Access
1,959 Views
8 Pages

11 November 2022

In this work, we present high-accuracy spectroscopic properties, such as line strengths, transition probabilities and oscillator strengths for allowed transitions among nD3/2,5/2,n′S1/2 and n′P1/2,3/2(n=4,n′=5,6) states of Rb-isoele...

  • Article
  • Open Access
546 Views
18 Pages

6 October 2025

We investigate the thermoelectric response of single-molecule junctions composed of acyclic cross-conjugated molecules, including dendralene analogues and related iso-poly(diacetylene) (iso-PDA) motifs, in which node-possessing repeat units are conne...

  • Feature Paper
  • Article
  • Open Access
14 Citations
6,142 Views
10 Pages

6 March 2020

We implement externally excited ZnO Mie resonators in a framework of a generalized Hubbard Hamiltonian to investigate the lifetimes of excitons and exciton-polaritons out of thermodynamical equilibrium. Our results are derived by a Floquet-Keldysh-Gr...

  • Article
  • Open Access
27 Citations
2,494 Views
19 Pages

Nuclear Matrix Elements for Heavy Ion Sequential Double Charge Exchange Reactions

  • Horst Lenske,
  • Jessica Bellone,
  • Maria Colonna and
  • Danilo Gambacurta

The theoretical approach to a sequential heavy ion double charge exchange reaction is presented. A brief introduction into the formal theory of second-order nuclear reactions and their application to Double Single Charge Exchange (DSCE) reactions by...

  • Article
  • Open Access
3 Citations
2,041 Views
27 Pages

16 February 2024

The role of initial state (ISI) and final state (FSI) ion–ion interactions in heavy-ion double-charge-exchange (DCE) reactions A(Z,N)→A(Z±2,N∓2) are studied for double single-charge-exchange (DSCE) reactions given by sequentia...

  • Article
  • Open Access
1 Citations
1,553 Views
10 Pages

Excited-State Forces with GW-BSE Through the Hellmann–Feynman Theorem

  • Marah Jamil Alrahamneh,
  • Iogann Tolbatov and
  • Paolo Umari

We introduce a method for calculating the atomic forces of a molecular or extended system in an excited state described through the GW-BSE approach within the Tamm–Dancoff approximation. The derivative of the so-called excitonic Hamiltonian is...

  • Article
  • Open Access
4 Citations
3,864 Views
11 Pages

Interlayer Bound Wannier Excitons in Germanium Sulfide

  • Sara Postorino,
  • Jianbo Sun,
  • Saskia Fiedler,
  • Laurent O. Lee Cheong Lem,
  • Maurizia Palummo and
  • Luca Camilli

12 August 2020

We report a cathodoluminescence (CL) study of layered germanium sulfide (GeS) where we observe a sharp emission peak from flakes covered with a thin hexagonal boron nitride film. GeS is a material that has recently attracted considerable interest due...

  • Article
  • Open Access
6 Citations
2,583 Views
11 Pages

Quasiparticle Self-Consistent GW Study of Simple Metals

  • Christoph Friedrich,
  • Stefan Blügel and
  • Dmitrii Nabok

18 October 2022

The GW method is a standard method to calculate the electronic band structure from first principles. It has been applied to a large variety of semiconductors and insulators but less often to metallic systems, in particular, with respect to a self-con...

  • Proceeding Paper
  • Open Access
1,724 Views
5 Pages

Grassmannization of the 3D Ising Model

  • E. Martello,
  • G. G. N. Angilella and
  • L. Pollet

The application of Feynman’s diagrammatic technique to classical link models with local constraints seems impossible due to (i) the absence of a free Gaussian theory on top of which the perturbative expansion can be constructed, and (ii) Dyson’s coll...

  • Feature Paper
  • Article
  • Open Access
3 Citations
2,305 Views
20 Pages

21 January 2023

We introduce and prove the “root theorem”, which establishes a condition for families of operators to annihilate all root states associated with zero modes of a given positive semi-definite k-body Hamiltonian chosen from a large class. Th...

  • Feature Paper
  • Article
  • Open Access
2 Citations
2,387 Views
5 Pages

15 April 2021

We study the effect of two metallic slabs on the collective dynamics of electrons in graphene positioned between the two slabs. We show that if the slabs are perfect conductors, the plasmons of graphene display a linear dispersion relation. The veloc...

  • Article
  • Open Access
625 Views
11 Pages

4 April 2025

We investigate quasielastic (anti)neutrino scattering on the 12C nucleus utilizing a novel scaling variable, ψ*. This variable is derived from the interacting relativistic Fermi gas model, which incorporates both scalar and vector interactions, l...

  • Feature Paper
  • Article
  • Open Access
8 Citations
5,194 Views
15 Pages

17 July 2017

Quantum-phase transitions between trivial insulators and topological insulators differ from ordinary metal-insulator transitions in that they arise from the inversion of the bulk band structure due to strong spin–orbit coupling. Such topological phas...

  • Article
  • Open Access
4 Citations
2,748 Views
21 Pages

23 November 2018

The study of dense gases and liquids requires consideration of the interactions between the particles and the correlations created by these interactions. In this article, the N-variable distribution function which maximizes the Uncertainty (Shannon&r...

  • Article
  • Open Access
3 Citations
10,572 Views
4 Pages

Stability-Ranking of Crystalline Ice Polymorphs Using Density-Functional Theory

  • Pralok K. Samanta,
  • Christian J. Burnham and
  • Niall J. English

16 January 2020

In this work, we consider low-enthalpy polymorphs of ice, predicted previously using a modified basin-hopping algorithm for crystal-structure prediction with the TIP4P empirical potential at three pressures (0, 4 and 8 kbar). We compare and (re)-rank...

  • Feature Paper
  • Article
  • Open Access
18 Citations
3,255 Views
16 Pages

30 March 2020

We present state-of-the-art string-based relativistic general-excitation-rank configuration interaction and coupled cluster calculations of the electron electric dipole moment, the nucleon–electron scalar-pseudoscalar, and the magnetic hyperfin...

  • Article
  • Open Access
1 Citations
2,525 Views
12 Pages

Dispersion in Single-Wall Carbon Nanotube Film: An Application of Bogoliubov–Valatin Transformation for Hamiltonian Diagonalization

  • Chandra M. Adhikari,
  • Da’Shawn M. Morris,
  • Thomas W. Noonan,
  • Tikaram Neupane,
  • Basu R. Lamichhane and
  • Bhoj R. Gautam

We present a theoretical study on the energy dispersion of an ultrathin film of periodically-aligned single-walled carbon nanotubes (SWCNTs) with the help of the Bogoliubov–Valatin transformation. The Hamiltonian of the film was derived using t...

  • Article
  • Open Access
1 Citations
1,237 Views
16 Pages

13 December 2024

The classical many-body problem is not integrable, so perturbation theory based on an exact solution to the two-body problem is usually applied to investigate the dynamics of planetary systems. However, in the case of variable masses, the two-body pr...

  • Article
  • Open Access
8 Citations
4,172 Views
22 Pages

4 February 2022

The Ising model describes a many-body interacting spin (or particle) system, which can be utilized to imitate the fundamental forces of nature. Although it is the simplest many-body interacting system of spins (or particles) with Z2 symmetry, the phe...

  • Review
  • Open Access
7 Citations
6,460 Views
29 Pages

20 October 2014

Nuclear matter is a convenient theoretical laboratory to test many-body theories. When neutron and proton densities are different, the isospin dependence of the nuclear force gives rise to the symmetry energy term in the equation of state. This quant...

  • Article
  • Open Access
5 Citations
2,779 Views
12 Pages

On the Quadratization of the Integrals for the Many-Body Problem

  • Yu Ying,
  • Ali Baddour,
  • Vladimir P. Gerdt,
  • Mikhail Malykh and
  • Leonid Sevastianov

11 December 2021

A new approach to the construction of difference schemes of any order for the many-body problem that preserves all its algebraic integrals is proposed herein. We introduced additional variables, namely distances and reciprocal distances between bodie...

  • Feature Paper
  • Article
  • Open Access
44 Citations
7,662 Views
20 Pages

Realistic Many-Body Quantum Systems vs. Full Random Matrices: Static and Dynamical Properties

  • Eduardo Jonathan Torres-Herrera,
  • Jonathan Karp,
  • Marco Távora and
  • Lea F. Santos

8 October 2016

We study the static and dynamical properties of isolated many-body quantum systems and compare them with the results for full random matrices. In doing so, we link concepts from quantum information theory with those from quantum chaos. In particular,...

  • Feature Paper
  • Article
  • Open Access
4 Citations
4,039 Views
28 Pages

Effective Field Theory of Random Quantum Circuits

  • Yunxiang Liao and
  • Victor Galitski

13 June 2022

Quantum circuits have been widely used as a platform to simulate generic quantum many-body systems. In particular, random quantum circuits provide a means to probe universal features of many-body quantum chaos and ergodicity. Some such features have...

  • Feature Paper
  • Review
  • Open Access
2 Citations
9,812 Views
32 Pages

Role of Nutritional Elements in Skin Homeostasis: A Review

  • Nansong Jiang,
  • Tao Quan,
  • Ran Li,
  • Yaoxing Chen and
  • Ting Gao

Skin aging is the most prominent phenotype of human aging and is the result from the interaction of genetic and environmental factors. Improving skin aging is essential for maintaining the normal physiological function of the skin and the mental heal...

  • Article
  • Open Access
2 Citations
4,918 Views
25 Pages

Quantum Classical Algorithm for the Study of Phase Transitions in the Hubbard Model via Dynamical Mean-Field Theory

  • Anshumitra Baul,
  • Herbert Fotso,
  • Hanna Terletska,
  • Ka-Ming Tam and
  • Juana Moreno

Modeling many-body quantum systems is widely regarded as one of the most promising applications for near-term noisy quantum computers. However, in the near term, system size limitation will remain a severe barrier for applications in materials scienc...

  • Article
  • Open Access
6 Citations
3,286 Views
24 Pages

Many-Electron QED with Redefined Vacuum Approach

  • Romain N. Soguel,
  • Andrey V. Volotka,
  • Dmitry A. Glazov and
  • Stephan Fritzsche

5 June 2021

The redefined vacuum approach, which is frequently employed in the many-body perturbation theory, proved to be a powerful tool for formula derivation. Here, we elaborate this approach within the bound-state QED perturbation theory. In addition to gen...

  • Review
  • Open Access
1,806 Views
25 Pages

Mean Field Approaches to Lattice Gauge Theories: A Review

  • Pierpaolo Fontana and
  • Andrea Trombettoni

27 February 2025

Due to their broad applicability, gauge theories (GTs) play a crucial role in various areas of physics, from high-energy physics to condensed matter. Their formulations on lattices, lattice gauge theories (LGTs), can be studied, among many other meth...

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