scholarly journals Dynamical correlation enhanced orbital magnetization in VI3

2021 ◽  
Vol 103 (3) ◽  
Author(s):  
Zhimou Zhou ◽  
Shishir Kumar Pandey ◽  
Ji Feng
Keyword(s):  
Dynamical Correlation ◽  
Orbital Magnetization

Spin and orbital magnetization in self-assembled Co clusters on Au(111)

1999 ◽  
Vol 59 (2) ◽  
pp. R701-R704 ◽  
Author(s):  
H. A. Dürr ◽  
S. S. Dhesi ◽  
E. Dudzik ◽  
D. Knabben ◽  
G. van der Laan ◽  
...  
Keyword(s):  
Orbital Magnetization ◽  
Self Assembled

Beryllium Dimer: A Bond Based on Non-Dynamical Correlation

2014 ◽  
Vol 118 (33) ◽  
pp. 6664-6673 ◽  
Author(s):  
Muammar El Khatib ◽  
Gian Luigi Bendazzoli ◽  
Stefano Evangelisti ◽  
Wissam Helal ◽  
Thierry Leininger ◽  
...  
Keyword(s):  
Dynamical Correlation ◽  
Beryllium Dimer

scholarly journals Spin-Orbit Matrix Elements for a Combined Spin-Flip and IP/EA Approach

2020 ◽  
Author(s):  
Oinam Meitei ◽  
Shannon Houck ◽  
Nicholas Mayhall
Keyword(s):  
Mean Field ◽  
Coupling Constants ◽  
Basis Set ◽  
Reduced Density Matrix ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Matrix Elements ◽  
Dynamical Correlation ◽  
The Core ◽  
Reduced Density

We present a practical approach for computing the Breit-Pauli spin-orbit matrix elements of multiconfigurational systems with both spin and spatial degeneracies based on our recently developed RAS-nSF-IP/EA method (JCTC, 15,<br>2278, 2019). The spin-orbit matrix elements over all the multiplet components are computed using a single one-particle reduced density matrix as a result of the Wigner-Eckart theorem. A mean field spin-orbit approximation was used to account for the two-electron contributions. Basis set dependence as well as the effect of including additional excitations is presented. The effect of correlating the core and semi-core orbitals is also examined. Surprisingly accurate results are obtained for spin-orbit coupling constants, despite the fact that the efficient wavefunction approximations we explore neglect the bulk of dynamical correlation.<br>

scholarly journals X-Ray Detected Magnetic Resonance: A Unique Probe of the Precession Dynamics of Orbital Magnetization Components

2011 ◽  
Vol 12 (12) ◽  
pp. 8797-8835 ◽  
Author(s):  
José Goulon ◽  
Andrei Rogalev ◽  
Gérard Goujon ◽  
Fabrice Wilhelm ◽  
Jamal Ben Youssef ◽  
...  
Keyword(s):  
Magnetic Resonance ◽  
X Ray ◽  
Unique Probe ◽  
Orbital Magnetization

scholarly journals Reorthonormalization of Chebyshev matrix product states for dynamical correlation functions

2018 ◽  
Vol 97 (7) ◽  
Author(s):  
H. D. Xie ◽  
R. Z. Huang ◽  
X. J. Han ◽  
X. Yan ◽  
H. H. Zhao ◽  
...  
Keyword(s):  
Correlation Functions ◽  
Matrix Product ◽  
Dynamical Correlation ◽  
Matrix Product States

SU(2) formulation of spin-resolved orbital magnetization

2022 ◽  
Vol 105 (3) ◽  
Author(s):  
Peng Jiang ◽  
Zhongshui Ma
Keyword(s):  
Orbital Magnetization
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