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Exchange-correlation bound states of the triplet soft-sphere fermions by path-integral Monte Carlo simulations.
Phys Rev E
August 2023
Joint Institute for High Temperatures of the Russian Academy of Sciences, Izhorskaya 13, Bldg 2, Moscow 127412, Russia.
Path-integral Monte Carlo simulations in the Wigner approach to quantum mechanics has been applied to calculate momentum and spin-resolved radial distribution functions of the strongly correlated soft-sphere quantum fermions. The obtained spin-resolved radial distribution functions demonstrate arising triplet clusters of fermions, that is the consequence of the interference of exchange and interparticle interactions. The semiclassical analysis in the framework of the Bohr-Sommerfeld quantization condition, applied to the potential of the mean force corresponding to the same-spin radial distribution functions, allows to detect exchange-correlation bound states in triplet clusters and to estimate corresponding averaged energy levels.
View Article and Find Full Text PDFSimultaneous Momentum and Position Measurement and the Instrumental Weyl-Heisenberg Group.
Entropy (Basel)
August 2023
Center for Quantum Information and Control, University of New Mexico, Albuquerque, NM 87131, USA.
The canonical commutation relation, [Q,P]=iℏ, stands at the foundation of quantum theory and the original Hilbert space. The interpretation of and as observables has always relied on the analogies that exist between the unitary transformations of Hilbert space and the canonical (also known as contact) transformations of classical phase space. Now that the theory of quantum measurement is essentially complete (this took a while), it is possible to revisit the canonical commutation relation in a way that sets the foundation of quantum theory not on unitary transformations but on positive transformations.
View Article and Find Full Text PDFOn Multimatrix Models Motivated by Random Noncommutative Geometry II: A Yang-Mills-Higgs Matrix Model.
Ann Henri Poincare
April 2022
Faculty of Physics, University of Warsaw, ul. Pasteura 5, 02-093 Warsaw, Poland.
We continue the study of fuzzy geometries inside Connes' spectral formalism and their relation to multimatrix models. In this companion paper to Pérez-Sánchez (Ann Henri Poincaré 22:3095-3148, 2021, arXiv:2007.10914), we propose a gauge theory setting based on noncommutative geometry, which-just as the traditional formulation in terms of almost-commutative manifolds-has the ability to also accommodate a Higgs field.
View Article and Find Full Text PDFUsing Machine Learning to Greatly Accelerate Path Integral Molecular Dynamics.
J Chem Theory Comput
February 2022
Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
molecular dynamics (AIMD) has become one of the most popular and robust approaches for modeling complicated chemical, liquid, and material systems. However, the formidable computational cost often limits its widespread application in simulations of the largest-scale systems. The situation becomes even more severe in cases where the hydrogen nuclei may be better described as quantized particles using a path integral representation.
View Article and Find Full Text PDFA Path Integral Molecular Dynamics Simulation of a Harpoon-Type Redox Reaction in a Helium Nanodroplet.
Molecules
September 2021
Instituto de Física Fundamental, IFF-CSIC, Serrano 123, ES-28006 Madrid, Spain.
We present path integral molecular dynamics (PIMD) calculations of an electron transfer from a heliophobic Cs2 dimer in its (3Σu) state, located on the surface of a He droplet, to a heliophilic, fully immersed C60 molecule. Supported by electron ionization mass spectroscopy measurements (Renzler et al., , , 181101), this spatially quenched reaction was characterized as a harpoon-type or long-range electron transfer in a previous high-level study (de Lara-Castells et al.
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