Related papers: Quantum states entanglement in hemoglobin molecule…
We investigate the DFT+U approach as a viable solution to describe the low-lying states of ligated and unligated iron heme complexes. Besides their central role in organometallic chemistry, these compounds represent a paradigmatic case…
We consider the coupling between an external electric field and dissociated ions embedded in anisotropic polarizable media such as block copolymers. We argue that the presence of such ions can induce strong morphological changes and even…
Statistical calculations within the Standard Model indicate that at extremely high densities the quarks and gluons will become deconfined, leading to a new state of matter, the so-called Quark-Gluon Plasma (QGP). Recently it was announced…
We describe and analyse numerically schemes (i) for entangling orthogonal motional modes of one or a few harmonically-trapped atoms or ions, and (ii) for transferring the entanglement from one of these local modes to a distant trapped atom…
Metal organic frameworks are porous materials composed of metal ions or clusters coordinated by organic molecules. As a response to applied uniaxial pressure, molecules of straight shape in the framework start to buckle. Under sufficiently…
Scattering of electrons by localized spins is the ultimate process enabling electrical detection and control of the magnetic state of a spin-doped material. At the molecular scale, this scattering is mediated by the electronic orbitals…
We perform first-principles quantum mechanical studies of dioxygen ligand binding to the hemocyanin protein. Electronic correlation effects in the functional site of hemocyanin are investigated using a state-of-the-art approach, treating…
Hemoglobin (Hb) is a multifaceted protein, classified as a metalloprotein, chromoprotein, and globulin. It incorporates iron, which plays a crucial role in transporting oxygen within red blood cells. Hb functions by carrying oxygen from the…
Atom-ion interactions occur through the electric dipole which is induced by the ion on the neutral atom. In a Langevin collision, in which the atom and ion overcome the centrifugal barrier and reach a short internuclear distance, their…
Quantum-optical techniques allow for generating controllable spin-spin interactions between ions, making trapped ions an ideal quantum simulator of Heisenberg chains. A single parameter, the detuning of the Raman coupling, allows to switch…
The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…
We investigate the 2D weakly interacting Bose-Einstein condensate in a rotating trap by the tools of quantum information theory. The critical exponents of the ground state fidelity susceptibility and the correlation length of the system are…
Transition-metal phthalocyanine molecules have attracted considerable interest in the context of spintronics device development due to their amenability to diverse bonding regimes and their intrinsic magnetism. The latter is highly…
Internal states of different ions in an electrodynamic trap are coupled when a static magnetic field is applied -- analogous to spin-spin coupling in molecules used for NMR. This spin-spin interaction can be used, for example, to implement…
The spin of an electron trapped in a quantum dot is a promising candidate implementation of a qubit for quantum information processing. We study the central spin problem of the effect of the hyperfine interaction between such an electron…
Quantum spins of mesoscopic size are a well-studied playground for engineering non-classical states. If the spin represents the collective state of an ensemble of qubits, its non-classical behavior is linked to entanglement between the…
Quantum systems can exhibit a great deal of universality at low temperature due to the structure of ground states and the critical points separating distinct states. On the other hand, quantum time evolution of the same systems involves all…
In order to elucidate the correlated motion of atomic electrons, we investigate the attosecond-scale dynamics of their entanglement arising due to nonsequential ionization driven by a strong, linearly-polarized laser field. The calculation…
We present an investigation of the effects of constant but random shifts of the ground hyperfine qubit states in the setting of quantum computing with ion doped crystals. Complex hyperbolic secant pulses can be used to transfer ions…
We present a theoretical study of magnetic field driven spin transitions of electrons in coupled lateral quantum dot molecules. A detailed numerical study of spin phases of artificial molecules composed of two laterally coupled quantum dots…