A Combined Spin-Flip and IP/EA Approach for Handling Spin and Spatial Degeneracies: Application to Double Exchange Systems

2018 ◽  
Author(s):  
Shannon Houck ◽  
Nicholas Mayhall
Keyword(s):  
Single Molecule ◽  
Double Exchange ◽  
Computational Effort ◽  
Strongly Correlated ◽  
Single Molecule Magnets ◽  
New Approach ◽  
Spin Flip ◽  
Model Hamiltonian ◽  
Simultaneous Existence ◽  
Exchange Parameters

<div>Many multiconfigurational systems, such as single-molecule magnets, are difficult to study using traditional computational methods due to the simultaneous existence of both spin and spatial degeneracies. In this work, a new approach termed n-spin-flip Ionization Potential/Electron Affinity (<i>n</i>SF-IP or <i>n</i>SF-EA) is introduced which combines the spin-flip method of Anna Krylov with particle-number changing IP/EA methods. We demonstrate the efficacy of the approach by applying it to the strongly-correlated N<sub>2</sub><sup>+</sup> as well as several double exchange systems. We also demonstrate that when these systems are well-described by a double exchange model Hamiltonian, only 1SF-IP/EA is required to extract the double exchange parameters and accurately predict energies for the low-spin states. This significantly reduces the computational effort for studying such systems. The effects of including additional excitations (using a RAS-<i>n</i>SF-IP/EA scheme) are also examined, with particular emphasis on hole and particle excitations.</div>

A Combined Spin-Flip and IP/EA Approach for Handling Spin and Spatial Degeneracies: Application to Double Exchange Systems

2018 ◽  
Author(s):  
Shannon Houck ◽  
Nicholas Mayhall
Keyword(s):  
Single Molecule ◽  
Double Exchange ◽  
Computational Effort ◽  
Strongly Correlated ◽  
Single Molecule Magnets ◽  
New Approach ◽  
Spin Flip ◽  
Model Hamiltonian ◽  
Simultaneous Existence ◽  
Exchange Parameters

<div>Many multiconfigurational systems, such as single-molecule magnets, are difficult to study using traditional computational methods due to the simultaneous existence of both spin and spatial degeneracies. In this work, a new approach termed n-spin-flip Ionization Potential/Electron Affinity (<i>n</i>SF-IP or <i>n</i>SF-EA) is introduced which combines the spin-flip method of Anna Krylov with particle-number changing IP/EA methods. We demonstrate the efficacy of the approach by applying it to the strongly-correlated N<sub>2</sub><sup>+</sup> as well as several double exchange systems. We also demonstrate that when these systems are well-described by a double exchange model Hamiltonian, only 1SF-IP/EA is required to extract the double exchange parameters and accurately predict energies for the low-spin states. This significantly reduces the computational effort for studying such systems. The effects of including additional excitations (using a RAS-<i>n</i>SF-IP/EA scheme) are also examined, with particular emphasis on hole and particle excitations.</div>

scholarly journals Full counting statistics of spin-flip and spin-conserving charge transitions in Pauli-spin blockade

2020 ◽  
Vol 2 (3) ◽  
Author(s):  
Sadashige Matsuo ◽  
Kazuyuki Kuroyama ◽  
Shunsuke Yabunaka ◽  
Sascha R. Valentin ◽  
Arne Ludwig ◽  
...  
Keyword(s):  
Spin Flip ◽  
Full Counting Statistics ◽  
Spin Blockade ◽  
Counting Statistics

scholarly journals Measuring the atomic spin-flip scattering rate by x-ray emission spectroscopy

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Régis Decker ◽  
Artur Born ◽  
Robby Büchner ◽  
Kari Ruotsalainen ◽  
Christian Stråhlman ◽  
...  
Keyword(s):  
Emission Spectroscopy ◽  
X Ray ◽  
Atomic Spin ◽  
Scattering Rate ◽  
Spin Flip

HADRON SPIN-FLIP AMPLITUDE AND SLOPE OF DIFFERENTIAL CROSS-SECTIONS

1999 ◽  
Vol 14 (03) ◽  
pp. 223-230 ◽  
Author(s):  
O. V. SELYUGIN
Keyword(s):  
Experimental Data ◽  
Cross Sections ◽  
Differential Cross ◽  
Scattering Amplitude ◽  
Previous Analysis ◽  
Differential Cross Sections ◽  
Spin Flip ◽  
Flip Amplitude

A possibility to obtain restrictions of the magnitude of the elastic spin-flip hadron scattering amplitude from accurately measured experimental data on the differential cross-sections of elastic hadron–hadron scattering is shown. Appropriate estimations confirm the previous analysis of experimental data at [Formula: see text] GeV and a probable contribution of the hadron spin-flip amplitude.

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