Atoms and quantum dots with a large number of electrons: The ground-state energy

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Infrared-active phonons in one-dimensional materials and their spectroscopic signatures

Nicola Marzari, Thibault Daniel Pierre Sohier, Norma Rivano

Dimensionality provides a clear fingerprint on the dispersion of infrared-active, polar-optical phonons. For these phonons, the local dipoles parametrized by the Born effective charges drive the LO-TO splitting of bulk materials; this splitting actually br ...

Nature Portfolio2023

Fermi energy determination for advanced smearing techniques

Nicola Marzari, Flaviano José Dos Santos

Smearing techniques are widely used in first-principles calculations of metallic and magnetic materials where they improve the accuracy of Brillouin-zone sampling and lessen the impact of level-crossing instabilities. Smearing introduces a fictitious elect ...

AMER PHYSICAL SOC2023

Emergence of Classical Magnetic Order from Anderson Towers: Quantum Darwinism in Action

Frédéric Mila

Environment is assumed to play a negative role in quantum mechanics, destroying the coherence in a quantum system and, thus, randomly changing its state. However, for a quantum system that is initially in a degenerate ground state, the situation could be d ...

American Physical Society2023

Non-Gaussian superradiant transition via three-body ultrastrong coupling

Fabrizio Minganti

We introduce a class of quantum optical Hamiltonians characterized by three-body couplings and propose a circuit-QED scheme based on state-of-the-art technology that implements the considered model. Unlike two-body light-matter interactions, this three-bod ...

AMER PHYSICAL SOC2023

Nonlinear dynamics and Kerr frequency comb formation in lattices of coupled microresonators

Tobias Kippenberg, Alexey Tikan, Aleksandr Tusnin

Recently, substantial progress has been made in the understanding of microresonators frequency combs based on dissipative Kerr solitons (DKSs). However, most of the studies have focused on the single-resonator level. Coupled resonator systems can open new ...

Nature Portfolio2023

Many-body screening effects in liquid water

Alfredo Pasquarello, Igor Reshetnyak, Arnaud Guillaume Lorin

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

Nature Portfolio2023

Correlation properties of a one-dimensional repulsive Bose gas at finite temperature

Riccardo Rota

We present a comprehensive study shedding light on how thermal fluctuations affect correlations in a Bose gas with contact repulsive interactions in one spatial dimension. The pair correlation function, the static structure factor, and the one-body density ...

IOP Publishing Ltd2023

A recipe for cracking the quantum scaling limit with machine learned electron densities

Mario Geiger

A long-standing goal of science is to accurately simulate large molecular systems using quantum mechanics. The poor scaling of current quantum chemistry algorithms on classical computers, however, imposes an effective limit of about a few dozen atoms on tr ...

IOP Publishing Ltd2023

Well-posedness Issues For the Half-Wave Maps Equation With Hyperbolic And Spherical Targets

Yang Liu

This thesis is a study of the global well-posedness of the Cauchy problems for half-wave maps from the Minkowski space of dimension n+1 to the 2-dimensional sphere and the hyperbolic plane. The work is mainly based on the results from Krieger-Sire 17' in ...

EPFL2023

Size dependence of second-harmonic scattering from nanoparticles: Disentangling surface and electrostatic contributions

Sylvie Roke, Arianna Marchioro, Bingxin Chu

Polarimetric angle-resolved second-harmonic scattering (AR-SHS) is an all-optical tool enabling the study of unlabeled interfaces of nano-sized particles in an aqueous solution. As the second harmonic signal is modulated by interference between nonlinear c ...

AIP Publishing2023