相关论文: An efficient quantum mechanical method for radical…

We present a practical semiclassical method for computing the electron spin dynamics of a radical in which the electron spin is hyperfine coupled to a large number of nuclear spins. This can be used to calculate the singlet and triplet…

Since the 1970s, spin-selective reactions of radical pairs have been modelled theoretically by adding phenomenological rate equations to the quantum mechanical equation of motion of the radical pair spin density matrix. Here, using a…

Radical pairs (also known as spin qubit pairs, electron-hole pairs) are transient reaction intermediates that are found and utilised in all areas of science. Radical pair spin dynamics simulations including all nuclear spins have been a…

We present a new method for calculating the product yield of a radical pair recombination reaction in the presence of a weak time-dependent magnetic field. This method successfully circumvents the computational difficulties presented by a…

Radical pair recombination reactions are normally described using a quantum mechanical master equation for the electronic and nuclear spin density operator. The electron spin state selective (singlet and triplet) recombination processes are…

Radical-ion-pair reactions were recently shown to represent a rich biophysical laboratory for the application of quantum measurement theory methods and concepts. We here propose a concrete experimental test that can clearly discriminate…

Radical-pair reactions pertinent to biological magnetic field sensing are an ideal system for demonstrating the paradigm of quantum biology, the exploration of quantum coherene effects in complex biological systems. We here provide yet…

We realize arbitrary waveform-based control of spin-selective recombination reactions of radical pairs in the low magnetic field regime. To this end, we extend the Gradient Ascent Pulse Engineering (GRAPE) paradigm to allow for optimizing…

The typicality approach and the Hilbert space averaging method as its technical manifestation are important concepts of quantum statistical mechanics. Extensively used for expectation values we extend them in this paper to transition…

We describe how the semiclassical theory of radical pair recombination reactions recently introduced by two of us [D. E. Manolopoulos and P. J. Hore, J. Chem. Phys. 139, 124106 (2013)] can be generalised to allow for different singlet and…

Magnetic field effects on radical pair reactions arise due to the interplay of coherent electron spin dynamics and spin relaxation effects, a rigorous treatment of which requires the solution of the Liouville-von Neumann equation. However,…

To reconstruct a mixed or pure quantum state of a spin s is possible through coherent states: its density matrix is fixed by the probabilities to measure the value s along 4s(s+1) appropriately chosen directions in space. Thus, after…

We adapt the Monte-Carlo wavefunction (MCWF) approach to treat the open-system spin dynamics of radical pairs subject to spin-selective recombination reactions. For these systems, non-Lindbladian master equations are widely employed, which…

The radical-pair-based chemical reaction could be used by birds for the navigation via the geomagnetic direction. An inherent physical mechanism is that the quantum coherent transition from a singlet state to triplet states of the radical…

We have used an efficient new quantum mechanical method for radical pair recombination reactions to study the spin-dependent charge recombination along PTZ$^{\bullet+}$--Ph$_n$--PDI$^{\bullet-}$ molecular wires. By comparing our results to…

Understanding the intricate quantum spin dynamics of radical pair reactions is crucial for unraveling the underlying nature of chemical processes across diverse scientific domains. In this work, we leverage Trotterization to map coherent…

In theories of spin-dependent radical pair reactions, the time evolution of the radical pair, including the effect of the chemical kinetics, is described by a master equation in the Liouville formalism. For the description of the chemical…

Quantum computers have the potential to solve certain interesting problems significantly faster than classical computers. To exploit the power of a quantum computation it is necessary to perform inter-qubit operations and generate entangled…

Analyzing the properties of entanglement in many-particle spin-1/2 systems is generally difficult because the system's Hilbert space grows exponentially with the number of constituent particles, $N$. Fortunately, it is still possible to…

Spin-selective reactions of radical pairs have traditionally been modelled theoretically by adding phenomenological rate equations to the quantum mechanical equation of motion of the radical pair spin density matrix. More recently an…