Article
Chemistry, Physical
Javier Sanz Rodrigo, Andreas Erbs Hillers-Bendtsen, Frederik O. Kjeldal, Nicolai M. Hoyer, Kurt V. Mikkelsen, Stephan P. A. Sauer
Summary: This article introduces a modified version of the SOPPA method for calculating indirect nuclear spin-spin couplings. The standard SOPPA method provides less accurate results than the coupled cluster methods. The new method, SOPPA+A3-3, incorporates third-order contributions to improve the accuracy of the results at a slightly increased computational cost.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Junzi Liu, Xuechen Zheng, Ayush Asthana, Chaoqun Zhang, Lan Cheng
Summary: This study presents a formulation of analytic energy first derivatives for the CCSD(T) method with spin-orbit coupling included, as well as an implementation for evaluating first-order properties. The standard density-matrix formulation for analytic CC gradient theory adapted to complex algebra is used, efficiently taking into account orbital-relaxation contributions for heavy-element calculations. Benchmark calculations of first-order properties for heavy-element containing molecules are performed to demonstrate the applicability and usefulness of the analytic scheme.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Xiao-Hong Pan, Xun-Jiang Luo, Jin-Hua Gao, Xin Liu
Summary: We uncover the transverse Majorana spin polarization in a class of higher-order topological superconductors, where the spin polarization of the Majorana zero modes is perpendicular to the applied magnetic field. We predict spin-selective Andreev reflection with lead polarization perpendicular to the magnetic field, which is different from the Majorana nanowire and vortex system. The induced topological Josephson 0 junction shows qualitative differences from the topologically trivial Josephson 0 junction and enables the construction of electronically controlled Majorana networks for braiding. This provides a comprehensive scheme for probing non-Abelian statistics in this class of higher-order topological superconductors with transverse Majorana spin texture.
Article
Astronomy & Astrophysics
Lado Samushia, Zachary Slepian, Francisco Villaescusa-Navarro
Summary: This study explores the use of galaxy N-point correlation functions as standard rulers for distance-redshift relationship constraints, demonstrating that reconstruction of the initial density field can offer better constraints than analyzing higher order correlation functions of the non-linear field. Using joint analysis of two and three-point correlation functions can sometimes provide better constraints than those obtained from the initial power spectrum.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Junzi Liu, Lan Cheng
Summary: The article reviews the development of relativistic coupled-cluster and equation-of-motion coupled-cluster methods, focusing on recent efforts to improve computational efficiency and extend the methods to molecules containing heavy elements. Future directions for the development of these methods are also discussed.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Tatsuki Sato, Yuma Umimoto, Yusuke Sugita, Yasuyuki Kato, Yukitoshi Motome
Summary: The optical Hall response is theoretically studied for spin-orbit coupled metals with ferroic orders of cluster-type magnetic multipoles. Different magnetic multipoles give rise to distinct spectra in the optical Hall conductivity, with monopole and quadrupole orders dominating in high- and low-energy regions, respectively. Toroidal order results in dispersed and weak response. Interplay between antisymmetric spin-orbit coupling and underlying multipoles reveals selection rules in the spectra. The optical Hall measurement is useful for detecting and distinguishing cluster-type magnetic multipole orders.
Article
Physics, Multidisciplinary
S. K. Adhikari
Summary: In this study, spontaneous spatial order in stripe and super-lattice solitons in a Rashba spin-orbit coupled spin-1 ferromagnetic Bose-Einstein condensate is demonstrated. The type of solitons changes with the strength of the SO coupling, with different types of solitons found for weak, intermediate, and large SO coupling strengths.
Article
Chemistry, Physical
Zhanli Cao, Xiaojun Zhou, Yunguang Zhang, JianXia Qi
Summary: The effects of spin-orbit coupling in halohydride cations were investigated using the EOM-SOC-CC method, with SOC being increasingly important for heavier cations. An approximation method, EOM-SOC-CC-a, was introduced to reduce computational effort for ionization potentials while maintaining accuracy. Both methods provide satisfactory results for the electronic structure and IPs calculations.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Daisuke Iizasa, Asuka Aoki, Takahito Saito, Junsaku Nitta, Gian Salis, Makoto Kohda
Summary: This study investigates the spatiotemporal spin dynamics under spin-orbit interaction in a (001) GaAs two-dimensional electron gas using magneto-optical Kerr rotation microscopy. It was found that the induction of spin precession frequency nonlinearly depends on the diffusion velocity near the cancellation between spin-orbit field and external magnetic field, contrary to conventional expectations. This unexpected behavior is attributed to the enhancement of spin relaxation anisotropy by the electron velocity perpendicular to the diffused direction.
Article
Physics, Multidisciplinary
Wang Zhi-Mei, Wang Hong, Xue Nai-Tao, Cheng Gao-Yan
Summary: This paper studies the quantum coherence effect in spin-orbit coupled quantum dot systems. The average current, shot noise, and skewness of the system are calculated using the full counting statistics approach. It is found that the shot noise decreases as the spin-orbit coupling increases. Furthermore, the current, noise, and skewness oscillate periodically with the magnetic flux, and this oscillation period is not affected by the strength of spin-orbit coupling, spin polarization, and dynamic coupling asymmetry.
ACTA PHYSICA SINICA
(2022)
Article
Physics, Multidisciplinary
Kevin T. Geier, Giovanni I. Martone, Philipp Hauke, Wolfgang Ketterle, Sandro Stringari
Summary: In this study, the nonrigidity and dynamic behavior of density stripes in a spin-orbit-coupled Bose-Einstein condensate with supersolidity are explored. Both analytical and numerical analysis demonstrate that spin waves induce crystal wave-like oscillations in the density profile, affecting the periodicity and orientation of the fringes. These findings highlight the paradigmatic nature of this system as a supersolid with a fully dynamic crystalline structure.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Michael Berger, Dominik Schulz, Jamal Berakdar
Summary: Quantum scars refer to enhanced localization of probability density of states in spectral regions with high energy levels. The study showed that spin-dependent scarring occurs in spin-coupled electronic systems, which can be detected through transport measurements or spin-polarized scanning tunneling spectroscopy.
Article
Optics
Pardeep Kaur, Sandeep Gautam, S. K. Adhikari
Summary: We studied the emergence of supersolid-like crystalline structures in a quasi-two-dimensional spin-orbit coupled spin-2 condensate. Different strengths of spin-orbit coupling and interatomic interactions led to a variety of nontrivial density patterns in the solutions.
Article
Multidisciplinary Sciences
A. Valdes-Curiel, D. Trypogeorgos, Q. -Y. Liang, R. P. Anderson, I. B. Spielman
Summary: In this study, researchers explore the topology in spin-orbit coupled 87Rb atoms using time domain spectroscopy and quantum state tomography. They measure the full quantum state to extract the Berry phase of the system and demonstrate signatures of a half-integer Chern index.
NATURE COMMUNICATIONS
(2021)
Article
Mathematics, Applied
Youngmin Park, Dan D. Wilson
Summary: A general framework for identifying phase-reduced equations for coupled oscillators beyond weak coupling approximations is developed. This framework accurately captures nonlinear bifurcations and is valid for various types of coupling. The proposed formulation is demonstrated to accurately predict behaviors of coupled oscillators in two examples, surpassing the limitations of traditional weak coupling theories.
SIAM JOURNAL ON APPLIED DYNAMICAL SYSTEMS
(2021)