Related papers: Are Molecules Magical? Non-Stabilizerness in Molec…
We study the formation of molecular states in a two-electron quantum dot as a function of the barrier potential dividing the dot. The increasing barrier potential drives the two electron system from an artificial helium atom to an…
Very recently [Phys. Rev. E 82, 021921 (2010)] a simple mechanism was presented by which a molecule subjected to forced oscillations, out of thermal equilibrium, can maintain quantum entanglement between two of its quantum degrees of…
A molecular description for magic-number configurations of interacting electrons in a quantum dot in high magnetic fields developed by one of the authors has been elaborated for four, five and six electron dots. For four electrons, the…
Quantum droplets are a quantum analogue to classical fluid droplets in that they are self-bound and display liquid-like properties -- such as incompressibility and surface tension -- though their stability is the result of quantum…
We study the creation and entanglement of quasiparticle pairs due to a periodic variation of the mode frequencies of a homogeneous quantum system. Depending on the values of the parameters describing the periodic modulation, the number of…
A new model of quantum mechanics, Classical Quantum Mechanics, is based on the (nearly heretical) postulate that electrons are physical objects that obey classical physical laws. Indeed, ionization energies, excitation energies etc. are…
Identifying the boundary between classical and quantum computation is a central challenge in quantum information. In multi-qubit systems, entanglement and magic are the key resources underlying genuinely quantum behaviour. While…
The effect of orbital magnetism on the chemical bonding of lateral, two-dimensional artificial molecules is studied in the case of a 2e double quantum dot (artificial molecular hydrogen). It is found that a perpendicular magnetic field…
Two particles that are entangled with respect to continuous variables such as position and momentum exhibit a variety of nonclassical features. First, measurement of one particle projects the other particle into the state that is the…
During compression of a water dimer calculated with high-precision first-principles methods, the trends of H-bond and O-H bond lengths show quantum effect of the electronic structure. We found that the H-bond length keeps decreasing, while…
Magic is a property of quantum states that enables universal fault-tolerant quantum computing using simple sets of gate operations. Understanding the mechanisms by which magic is created or destroyed is, therefore, a crucial step towards…
Coupled semiconductor quantum dots form artificial molecules where relevant energy scales controlling the interacting ground state can be easily tuned. By applying an external magnetic field it is possible to drive the system from a weak to…
The lowest-lying states of LiH have been widely used to develop and calibrate many different methods in quantum mechanics. In this paper we show that the electron-transfer processes occurring in these two states are a difficult test for…
The synthesis of molecular magnets has undergone rapid progress in recent years. Each of the identical molecular units can contain as few as two and up to several dozens of paramagnetic ions (spins). Although these materials appear as…
Magic, also known as nonstabilizerness, quantifies the distance of a quantum state to the set of stabilizer states, and it serves as a necessary resource for potential quantum advantage over classical computing. In this work, we study magic…
The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs)…
Through density functional theory and molecular dynamics calculations, we have analysed various metal polyhydrides to understand whether hydrogen is present in its molecular or atomic form - tetrahydrides of Ba,Sr,Ra, Cs and La;…
In the discussion about the quantumness of NMR computation a conclusion is done that computational states are separable and therefore can not be entangled. This conclusion is based on the assumption that the initial density matrix of an…
Science is founded on the benchmarking of theoretical models against experimental measurements, with the challenge that for all but the simplest systems, the calculations required for high precision become extremely challenging.…
The vibrational frequency of hydrogen molecules has been observed to increase strongly with He concentration in helium hydrogen fluid mixtures. This has been associated with He-H interactions, either directly through chemical bonding, or…