At the Cooler Synchrotron COSY/Jülich spin-correlation parameters in elastic proton-proton (pp) scattering have been measured with a 2.11 GeV polarized proton beam and a polarized hydrogen atomic beam target. We report results for A(NN), A(SS), and A(SL) for c.m. scattering angles between 30 degrees and 90 degrees. Our data on A(SS)--the first measurement of this observable above 800 MeV--clearly disagrees with predictions of available pp scattering phase-shift solutions while A(NN) and A(SL) are reproduced reasonably well. We show that in the direct reconstruction of the scattering amplitudes from the body of available pp elastic scattering data at 2.1 GeV the number of possible solutions is considerably reduced.
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http://dx.doi.org/10.1103/PhysRevLett.90.142301 | DOI Listing |
J Chem Phys
December 2024
Technische Universität Braunschweig, Institut für Physikalische und Theoretische Chemie, Gaussstraße 17, D-38106 Braunschweig, Germany.
In this work, the development of a new general-purpose exchange-correlation hybrid functional based on the recent locally range-separated local hybrid approach is presented. In particular, the new functional, denoted as MH24, combines a non-empirical treatment of the admixture of locally range-separated long-range exact exchange with a new real-space separation approach for the real-space exact-exchange admixture governed by the local mixing function (LMF) and a new empirical LYP-based approach for the correlation functional to enable a flexible description of same- and opposite-spin correlation effects. The nine empirical parameters of the MH24 model have been optimized using a state-of-the-art super-self-consistent-field approach, which exploits the sensitivity of specific properties, such as core ionization potentials, electron affinities, and atomization energies, to the exact-exchange admixture in specific regions in real space and the separation of the LMF into a core, valence, and asymptotic part.
View Article and Find Full Text PDFJ Phys Condens Matter
July 2024
Departamento de Materia Condensada, Instituto de Física, Universidad Nacional Autónoma de México, Apartado Postal 20-364, Ciudad de México, C.P. 01000, Mexico.
Resonating valence bond (RVB) states are fundamental for understanding quantum spin liquids in two-dimensional (2D) systems. The RVB state is a collective phenomenon in which spins are uncoupled. 2D lattices such as triangular, honeycomb, and dice lattices were investigated using the Hubbard model and exact diagonalization method.
View Article and Find Full Text PDFJ Phys Condens Matter
May 2024
Department of Physics, Jadavpur University, 188 Raja Subodh Chandra Mallik Road, Kolkata 700032, India.
Magnetic and topological properties along with quantum correlations in terms of several entanglement measures have been investigated for an antiferromagnetic (AFM) spin-1/2 XY model in the presence of transverse magnetic field and XZX-YZY type of three-spin interactions. Symmetries of the spin Hamiltonian have been identified. Under the Jordan-Wigner transformation, the spin Hamiltonian converted into spinless superconducting model with nearest neighbor (NN) hopping and Cooper pairing terms in addition to next NN Cooper pairing potential.
View Article and Find Full Text PDFJ Phys Chem Lett
November 2023
Department of Chemistry, Columbia University, New York, New York 10027, United States.
Attaining kJ/mol accuracy in cohesive energy for molecular crystals is a persistent challenge in computational materials science. In this study, we evaluate second-order Møller-Plesset perturbation theory (MP2) and its spin-component scaled models for calculating cohesive energies for 23 molecular crystals (X23 data set). Using periodic boundary conditions and Brillouin zone sampling, we converge results to the thermodynamic and complete basis set limits, achieving an accuracy of about 2 kJ/mol (0.
View Article and Find Full Text PDFJ Phys Condens Matter
August 2023
Hubei Key Laboratory of Energy Storage and Power Battery, Collaborative Innovation Center for Optoelectronic Technology, and School of Mathematics, Physics and Optoelectronic Engineering, Hubei University of Automotive Technology, Shiyan 442002, People's Republic of China.
Interfacing magnetism with superconducting condensates are promising candidates holding Majorana bound states with which fault-tolerant quantum computation could be implemented. Within this field, understanding the detailed dynamics is important both for fundamental reasons and for the development of innovative quantum technologies. Herein, motivated by a molecular magnet TbPcinteracting with a superconducting Pb(111) substrate, which results in spin-orbital Yu-Shiba-Rusinov (YSR) states, as is affirmed by a theoretical simulation with the aid of the numerical renormalization group technique (see Xia20226388), we study the YSR states and quantum phase transitions (QPTs) in a bipartite molecular device adsorbed on ans-wave superconducting substrate.
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