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Publications associées (344)
Excited State-Specific CASSCF Theory for the Torsion of Ethylene
State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away from molecular equilibria. However, its accuracy and practicality for chemical ...
Amer Chemical Soc2024Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates
Richard Gaal, Livia Eleonora Bove Kado, Umbertoluca Ranieri
Hydrogen clathrate hydrates are ice-like crystalline substances in which hydrogen molecules are trapped inside polyhedral cages formed by the water molecules. Small cages can host only a single H-2 molecule, while each large cage can be occupied by up to f ...
Aip Publishing2024Adaptive projected variational quantum dynamics
Giuseppe Carleo, Stefano Barison, David Linteau
We propose an adaptive quantum algorithm to prepare accurate variational time evolved wave functions. The method is based on the projected variational quantum dynamics (pVQD) algorithm, that performs a global optimization with linear scaling in the number ...
Amer Physical Soc2024Roger F. Harrington and the Method of Moments: Part 2: Electrodynamics
The method of moments (MOM), as introduced by Roger F. Harrington more than 50 years ago, is reviewed in the context of the classic potential integral equation (IE) formulations applied to both electrostatic (part 1) and electrodynamic or full-wave problem ...
Piscataway2024Soliton gas: Theory, numerics, and experiments
The concept of soliton gas was introduced in 1971 by Zakharov as an infinite collection of weakly interacting solitons in the framework of Korteweg-de Vries (KdV) equation. In this theoretical construction of a diluted (rarefied) soliton gas, solitons with ...
Amer Physical Soc2024Optothermal shaping of lamb waves with square and spiral phase fronts
Romain Christophe Rémy Fleury, Janez Rus, Aleksi Antoine Bossart
We introduce a Lamb-wave medium with tunable propagation velocities, which are controlled by a two-dimensional heating pattern produced by a laser beam. We utilized it to demonstrate that waves in an appropriately designed medium can propagate in the form ...
2024Oblique streaming waves observed in multipactor-induced plasma discharge above a dielectric surface
In a recent discovery (Wen et al 2022 Phys. Rev. Lett. 129 045001), streaming waves were found in multipactor-induced plasma discharges. However, due to the limitations of a 1D simulation setup, these waves displayed only transverse dynamics. In this lette ...
2024Overhead-constrained circuit knitting for variational quantum dynamics
Giuseppe Carleo, Gian Florin Gentinetta, Friederike Metz
Simulating the dynamics of large quantum systems is a formidable yet vital pursuit for obtaining a deeper understanding of quantum mechanical phenomena. While quantum computers hold great promise for speeding up such simulations, their practical applicatio ...
Verein Forderung Open Access Publizierens Quantenwissenschaf2024Roger F. Harrington and the Method of Moments: Part 1: Electrostatics
The method of moments (MOM), as introduced by R. F. Harrington more than 50 years ago, is reviewed in the context of the classic potential integral equation (PIE) formulations applied to both electrostatic (part 1) and electrodynamic, or full-wave, problem ...
Piscataway2024Spin, Charge, and ?-Spin Separation in One-Dimensional Photodoped Mott Insulators
We show that effectively cold metastable states in one-dimensional photodoped Mott insulators described by the extended Hubbard model exhibit spin, charge, and q-spin separation. Their wave functions in the large on-site Coulomb interaction limit can be ex ...
AMER PHYSICAL SOC2023