Related papers: Charge Transfer with a Spin. II: A Framework for D…
In this paper we describe the electrons of the 1D Hubbard model by a fluid of unpaired rotated electrons and a fluid of zero-spin rotated-electron pairs. The rotated electrons are related to the original electrons by a mere unitary…
Molecular conduction operating in dielectric solvent environments are often described using kinetic rates based on Marcus theory of electron transfer at a molecule-metal electrode interface. However, the successive nature of charge transfer…
The transfer of information between quantum systems is essential for quantum communication and computation. In quantum computers, high connectivity between qubits can improve the efficiency of algorithms, assist in error correction, and…
We identify a novel mechanism to read out a single solid-state electron spin using an all-electrical spin-to-charge conversion in a closed system. Our scheme uses three donors and two electron spins, one spin is the qubit, the other is a…
We implement an iterative quantum state transfer exploiting the natural dipolar couplings in a spin chain of a liquid crystal NMR system. During each iteration a finite part of the amplitude of the state is transferred and by applying an…
Anderson localization problem for non-interacting two-dimensional electron gas subject to strong magnetic field, disordered potential and spin-orbit coupling is studied numerically on a square lattice. The nature of the corresponding…
A novel approach, the fermion-spin transformation to implement the charge-spin separation, is developed to study the low-dimensional $t$-$J$ model. In this approach, the charge and spin degrees of freedom of the physical electron are…
The reciprocal interconversion between spin polarization and charge current (CSC) is the focus of intensive theoretical and experimental investigation in spintronics research. Its physical origin stems from the Rashba spin-orbit coupling…
During the last years there has been much interest, and theoretical discussion, about the possibility to use spin-orbit coupling to control the carriers spins in two-dimensional semiconducting heterostructures. Spin polarization at the…
We present a multi-state implementation of the recently developed FDE-diab methodology [J. Chem. Phys., 148 (2018), 214104] in the Serenity program. The new framework extends the original approach such that any number of charge-localized…
Variational optimization of orbitals in time-independent density functional calculations of excited electronic states presents a significant challenge, as excited states typically correspond to saddle points on the electronic energy…
Using the Constrained Path Monte Carlo (CPMC) method, we simulated the two-dimensional, three-band Hubbard model to study pairing, charge, and spin correlations as a function of electron and hole doping and the Coulomb repulsion $V_{pd}$…
An accurate description of the two-electron density, crucial for magnetic coupling in spin systems, provides in general a major challenge for density functional theory calculations. It affects, e.g., the calculated zero-field splitting…
Many schemes to realize quantum state transfer in spin chains are not robust to random fluctuations in the spin-spin coupling strength. In efforts to achieve robust quantum state transfer, an adiabatic quantum population transfer scheme is…
The spin-crossover in organometallic molecules constitutes one of the most promising routes towards the realization of molecular spintronic devices. In this article, we explore the hybridization-induced spin-crossover in metal-organic…
We propose a simple construction of shortcuts to adiabaticity tracking instantaneous stationary states in classical spin systems without knowing tracked stationary states. In our construction, control fields of counter-diabatic driving are…
The generation mechanisms of electron spin polarization (ESP) of charge carriers (electrons and holes, called "doublets") in doublet-doublet recombination and triplet-doublet quenching in disordered organic semiconductors are analyzed in…
Recently, the technique of counterdiabatic driving, which provides an effective strategy for accelerating adiabatic quantum evolution, has been widely applied in the preparation of many-body quantum states. In this work, we propose a…
The recently proposed Partition Theory (PT) [J.Phys.Chem.A 111, 2229 (2007)] is illustrated on a simple one-dimensional model of a heteronuclear diatomic molecule. It is shown that a sharp definition for the charge of molecular fragments…
The effect of the charge ordering on the spin-Peierls (SP) state has been examined by using a Peierls-Hubbard model at quarter-filling with dimerization, on-site and nearest-neighbor repulsive interactions. By taking account of the presence…