Related papers: Prototype model for nuclear spin conversion in mol…
In this educational paper, we will discuss calculations on the hydrogen molecule both on classical and quantum computers. In the former case, we will discuss the calculation of molecular integrals that can then be used to calculate…
The scenario of homogeneous nucleation is investigated for a first order quark-hadron phase transition in a rapidly expanding background of quark gluon plasma. It is found that significant supercooling is possible before hadronization…
Water exists as two nuclear-spin isomers, para and ortho, determined by the overall spin of its two hydrogen nuclei. For isolated water molecules the conversion between these isomers is forbidden and they act as different molecular species.…
Here we demonstrate how para-hydrogen can be used to prepare a two-spin system in an almost pure state which is suitable for implementing nuclear magnetic resonance (NMR) quantum computation. A 12ns laser pulse is used to initiate a…
Enrichment of nuclear spin isomers of molecules by infrared radiation resonant to molecular rovibrational transition is considered. Special attention is given to the enrichment by light-induced crossing of far separated ortho and para…
We present an efficient quantum algorithm for beyond-Born-Oppenheimer molecular energy computations. Our approach combines the quantum full configuration interaction method with the nuclear orbital plus molecular orbital (NOMO) method. We…
We survey recent work on designing and evaluating quantum computing implementations based on nuclear or bound-electron spins in semiconductor heterostructures at low temperatures and in high magnetic fields. General overview is followed by…
Nuclear magnetic resonance spectroscopy is one of the few remaining areas of physical chemistry for which polynomially scaling simulation methods have not so far been available. Here, we report such a method and illustrate its performance…
Hydrogen atom is studied as a quantum-classical hybrid system, where the proton is treated as a classical object while the electron is regarded as a quantum object. We use a well known mean-field approach to describe this hybrid hydrogen…
The hydrogen atom with the Coulomb interaction is one of the exactly solvable non-relativistic quantum models. Unlike many other exactly solvable models it describes a real physical object providing the formulas for energy levels and…
A theoretical interpretation is given to recent proton spin relaxation-time (T_1) measurements on NiCu(C_7H_6N_2O_6)(H_2O)_3$\cdot$2H_2O, which is an ideal one-dimensional ferrimagnetic Heisenberg model system of alternating spins 1 and…
Water exists in two forms, para and ortho, that have nuclear spin states with different symmetries. Here we report the conversion of fullerene-encapsulated para-water to ortho-water. The enrichment of para-water at low temperatures is…
Phase I of hydrogen has several peculiarities. Despite having a close-packed crystal structure, it is less dense than either the low temperature Phase II or the liquid phase. At high pressure, it transforms into either phase III or IV,…
Coherent excitation of an ensemble of quantum objects underpins quantum many-body phenomena, and offers the opportunity to realize a quantum memory to store information from a qubit. Thus far, a deterministic and coherent interface between…
We investigate the role of the nuclear spin quantum dynamics in hyperfine-induced spin relaxation of hopping carriers in organic semiconductors. The fast hopping regime with a small carrier spin precession during a waiting time between hops…
We present a realistic model for transferring the squeezing or the entanglement of optical field modes to the collective ground state nuclear spin of $^3$He using metastability exchange collisions. We discuss in detail the requirements for…
A quantum spin model representing tautomeric mutation is proposed for any DNA molecule. Based on this model, the quantum mechanical calculations for mutational rate and complementarity restoring repair rate in the replication processes are…
The nuclear spin--rotation interaction in the hyperfine structure of the hydrogen molecular ion is investigated. The interaction constants are determined and are found to differ in sign and magnitude compared to another theory, but they are…
NMR is emerging as a valuable testbed for the investigation of foundational questions in quantum mechanics. The present paper outlines the preparation of a class of mixed states, called pseudo-pure states, that emulate pure quantum states…
Relaxation of conduction electron spins in a semiconductor owing to the hyperfine interaction with spin-1/2 nuclei, in zero applied magnetic field, is investigated. We calculate the electron spin relaxation time scales, in order to evaluate…