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Quantum state reconstruction using Neural Quantum States has been proposed as a viable tool to reduce quantum shot complexity in practical applications, and its advantage over competing techniques has been shown in numerical experiments focusing mainly on ...
Verein Forderung Open Access Publizierens Quantenwissenschaf2024
Discovering new materials is essential but challenging, time-consuming, and expensive.In many cases, simulations can be useful for estimating material properties. For many of the most interesting properties, however, simulations are infeasible because of p ...
Quantum Field Theory(QFT) as one of the most promising frameworks to study high energy and condensed matter physics, has been mostly developed by perturbative methods. However, perturbative methods can only capture a small island of the space of QFTs.QFT i ...
Imaginary time path-integral (PI) simulations that account for nuclear quantum effects (NQE) beyond the harmonic approximation are increasingly employed together with modern electronic-structure calculations. Existing PI methods are applicable to molecules ...
AMER CHEMICAL SOC2020
The theory of photofragments angular momentum polarization is applied to the photodetachment of an electronically excited alkali atom from a helium nanocluster (N = 200). The alignment of the electronic angular momentum of the bare excited alkali atoms pro ...
Starting from the quantum-Boltzmann equation derived in a previous paper, we study the irreversible evolution of an electron gas in the one-particle phase space. The connection with phase space is established by expressing one-electron states in terms of t ...
A quantum-continuum multiscale coupling of Kohn-Sham density functional theory to continuum material is presented that can handle mechanics problems in metals when long-range stress fields are present, such as occurs for dislocations and cracks. The method ...
The sign of the theoretically predicted steric asymmetry S in rotational inelastic state resolved molecule–atom collisions is questioned. It is shown that the sign of the T-matrix obtained on a basis of non-oriented rotational states of the molecule depend ...
Initial value representations are constructed to avoid the search for trajectories that are only defined in semiclassical approximations by their boundary conditions. We show how to incorporate these procedures within the full Weyl representation, so that ...
2013
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Owing to its detailed diagnostics, feasibility of parameter scans, and relatively simple configuration, the basic plasma physics experiment TORPEX is an ideal testbed in which to perform experiment/simulation comparisons and to contribute to the establishm ...
