Spin–Orbit Coupling in Aromatic Hydrocarbons. Analysis of Nonradiative Transitions between Singlet and Triplet States in Benzene and Naphthalene

1971 ◽  
Vol 54 (3) ◽  
pp. 1072-1085 ◽  
Author(s):  
Bryan R. Henry ◽  
Willem Siebrand
Keyword(s):  
Aromatic Hydrocarbons ◽  
Orbit Coupling ◽  
Triplet States ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Singlet And Triplet States ◽  
Nonradiative Transitions

CNDO/S CI calculation of spin-orbit coupling and intersystem crossing in photochemical biradical formation reaction

1981 ◽  
Vol 46 (6) ◽  
pp. 1318-1323 ◽  
Author(s):  
Boris F. Minaev ◽  
David M. Kižner
Keyword(s):  
Nuclear Polarization ◽  
Orbit Coupling ◽  
Intersystem Crossing ◽  
Triplet States ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Formation Reaction ◽  
Chemically Induced ◽  
Singlet And Triplet States ◽  
Ci Calculation

The CNDO/S CI method has been employed to calculate potential curves for singlet and triplet states along reaction path for photolysis of cyclopentanone (dissociation of the C-C bond and biradical formation). Spin-orbit coupling between these two states and the probability of intersystem crossing (ISC) in Landau-Zener approximation were calculated. This probability has proved enough to compete with nuclear spin induced ISC process. In this way some peculiarities of chemically induced dynamic nuclear polarization in formation of products via biradicals can be qualitatively understood.

scholarly journals Rashba-controlled two-electron spin-charge qubits as building blocks of a quantum computer

2020 ◽  
Vol 34 (19n20) ◽  
pp. 2040058
Author(s):  
A. Kregar ◽  
A. Ramšak
Keyword(s):  
Electron Spin ◽  
Quantum Information Processing ◽  
Quantum Computer ◽  
Building Blocks ◽  
Orbit Coupling ◽  
Triplet States ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Charge Oscillation ◽  
Oscillation Dynamics

The spin-sensitive charge oscillation, controlled by an external magnetic field, was recently proposed as a mechanism of transformations of qubits, defined as two-electron spin-charge Wannier molecules in a square quantum dot.1 The paper expands this idea by including the effects of Rashba-type spin-orbit coupling. The problem is studied theoretically by mapping the system to an analytic effective Hamiltonian for 8 low-energy states, comprising singlet and triplet on each dot diagonal. The validity of mapping is confirmed by comparing the energy and spin of full and mapped system, and also by the reproduction of charge-oscillation dynamics in the presence of magnetic flux. The newly introduced Rashba coupling significantly enriches the system dynamics, affecting the magnitude of charge oscillations and allowing the controlled transitions between singlet and triplet states due to the spin rotations, induced by spin-orbit coupling. The results indicate the possibility for use of the studied system for quantum information processing, while possible extensions of the system to serve as a qubit in a universal quantum computer, fulfilling all five Di Vincenzo criteria, is also discussed.

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