Topological models of magnetic field induced current density field in small molecules

被引：23
|
作者：
Pelloni, Stefano [1 ]
Lazzeretti, Paolo [1 ]
Zanasi, Riccardo [2 ]
机构：
[1] Univ Modena, Dipartimento Chim, I-41100 Modena, Italy
[2] Univ Salerno, Dipartimento Chim, I-84084 Fisciano, SA, Italy
来源：
THEORETICAL CHEMISTRY ACCOUNTS | 2009年 / 123卷 / 3-4期
关键词：
RING CURRENT MODEL; QUANTUM-MECHANICAL STREAMLINES; HARTREE-FOCK CALCULATIONS; GAUGE-ORIGIN PROBLEM; NMR CHEMICAL-SHIFTS; CONTINUOUS TRANSFORMATION; CURRENT DISTRIBUTIONS; LOCALIZED QUANTITIES; QUANTIZED VORTICES; SUSCEPTIBILITIES;
D O I：
10.1007/s00214-009-0530-3
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Three-dimensional models of the quantum mechanical current density induced in the electrons of LiH, BeH2, and CO2 molecules by a magnetic field applied perpendicularly to the bond axis have been constructed at the Hartree-Fock level of accuracy. The topological features of the current density vector field are described via a stagnation graph that contains the isolated points and the lines at which the current vanishes, and by planar and spatial streamline plots.
引用
收藏
页码：353 / 364
页数：12
相关论文
共 50 条
  • [31] Radial current density effects on rotating magnetic field current drive in field-reversed configurations
    Clemente, R. A.
    Gilli, M.
    Farengo, R.
    PHYSICS OF PLASMAS, 2008, 15 (10)
  • [32] SIMULATION OF MAGNETIC FIELD INDUCED CURRENT FOR MAGNETIC SEIZURE THERAPY
    Wadkar, Abhijeet
    Jupalli, Prithvi K.
    Asokanthan, Samuel F.
    PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS AND EXPOSITION, 2017, VOL 3, 2018,
  • [33] Direct observation of chiral edge current at zero magnetic field in a magnetic topological insulator
    Zhu, Jinjiang
    Feng, Yang
    Zhou, Xiaodong
    Wang, Yongchao
    Yao, Hongxu
    Lian, Zichen
    Lin, Weiyan
    He, Qiushi
    Lin, Yishi
    Wang, Youfang
    Wang, Yongqian
    Yang, Shuai
    Li, Hao
    Wu, Yang
    Liu, Chang
    Wang, Jing
    Shen, Jian
    Zhang, Jinsong
    Wang, Yayu
    Wang, Yihua
    NATURE COMMUNICATIONS, 2025, 16 (01)
  • [34] Field dependence of current profiles induced in a superconducting film under a magnetic field
    Yoo, Jaeun
    Lee, Jaeyoung
    Youm, Dojun
    JOURNAL OF THE KOREAN PHYSICAL SOCIETY, 2007, 51 (05) : 1776 - 1781
  • [35] Magnetic field-induced helical mode and topological transitions in a topological insulator nanoribbon
    Jauregui, Luis A.
    Pettes, Michael T.
    Rokhinson, Leonid P.
    Shi, Li
    Chen, Yong P.
    NATURE NANOTECHNOLOGY, 2016, 11 (04) : 345 - 351
  • [36] Magnetic field-induced helical mode and topological transitions in a topological insulator nanoribbon
    Jauregui L.A.
    Pettes M.T.
    Rokhinson L.P.
    Shi L.
    Chen Y.P.
    Nature Nanotechnology, 2016, 11 (4) : 345 - 351
  • [37] Invariance of magnetic-field induced current density to a continuous transformation of the origin of the coordinate system
    Soncini, A
    Lazzeretti, P
    Zanasi, R
    CHEMICAL PHYSICS LETTERS, 2006, 421 (1-3) : 21 - 26
  • [38] Hourglass magnetic field from a survey of current density profiles
    Bino, Gianfranco
    Basu, Shantanu
    Sharkawi, Mahmoud
    Das, Indrani
    NEW ASTRONOMY, 2022, 90
  • [39] MAGNETIC FIELD OF A HOLLOW ELLIPTICAL CYLINDER WITH CONSTANT CURRENT DENSITY
    KNEPPO, L
    ELECTRICAL TECHNOLOGY, 1969, 1 : 193 - &
  • [40] SINGULARITIES OF MAGNETIC-FIELD INDUCED ELECTRON CURRENT-DENSITY - A STUDY OF THE ETHYLENE MOLECULE
    LAZZERETTI, P
    ROSSI, E
    ZANASI, R
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 25 (06) : 929 - 940
12345