We theoretically investigate the quantum correlations (in terms of concurrence of indistinguishable electrons) in a prototype molecular system (hydrogen molecule). With the assistance of the standard approximations of the linear combination of atomic orbitals and the configuration interaction methods we describe the electronic wavefunction of the ground state of the H2 molecule. Moreover, we managed to find a rather simple analytic expression for the concurrence (the most used measure of quantum entanglement) of the two electrons when the molecule is in its lowest energy. We have found that concurrence does not really show any relation to the construction of the chemical bond.
Using the Born-Oppenheimer approximation, we show that exotic resonances, X and Z, may emerge as QCD molecular objects made of colored two-quark lumps, states with heavy-light diquarks spatially separated from antidiquarks. With the same method we confirm that doubly heavy tetraquarks are stable against strong decays. Tetraquarks described here provide a new picture of exotic hadrons, as formed by the QCD analog of the hydrogen bond of molecular physics.
Conventional information processors freely convert information between different physical carriers to process, store, or transmit information. It seems plausible that quantum information will also be held by different physical carriers in applications such as tests of fundamental physics, quantum-enhanced sensors, and quantum information processing. Quantum-controlled molecules in particular could transduce quantum information across a wide range of quantum-bit (qubit) frequencies, from a few kHz for transitions within the same rotational manifold, a few GHz for hyperfine transitions, up to a few THz for rotational transitions, to hundreds of THz for fundamental and overtone vibrational and electronic transitions, possibly all within the same molecule. Here, we report the first demonstration of entanglement between states of the rotation of a $rm^{40}CaH^+$ molecular ion and internal states of a $rm^{40}Ca^+$ atomic ion. The qubit addressed in the molecule has a frequency of either 13.4 kHz or 855 GHz, highlighting the versatility of molecular qubits. This work demonstrates how molecules can transduce quantum information between qubits with different frequencies to enable hybrid quantum systems. We anticipate that quantum control and measurement of molecules as demonstrated here will create opportunities for quantum information science, quantum sensors, fundamental and applied physics, and controlled quantum chemistry.
We investigate the entanglement properties of resonating-valence-bond states on two and higher dimensional lattices, which play a significant role in our understanding of various many-body systems. We show that these states are genuinely multipartite entangled, while there is only a negligible amount of two-site entanglement. We comment on possible physical implications of our findings.
In this paper we present in greater detail previous work on the Born-Oppenheimer approximation to treat the hydrogen bond of QCD, and add a similar treatment of doubly heavy baryons. Doubly heavy exotic resonances X and Z can be described as color molecules of two-quark lumps, the analogue of the H_2 molecule, and doubly heavy baryons as the analog of the H_2^+ ion, except that the two heavy quarks attract each other. We compare our results with constituent quark model and lattice QCD calculations and find further evidence in support of this upgraded picture of compact tetraquarks and baryons.
A theoretical comparison of the electronic excitation and ionisation behaviour of molecular hydrogen oriented either parallel or perpendicular to a linear polarised laser pulse is performed. The investigation is based on a non-perturbative treatment that solves the full time-dependent Schrodinger equation of both correlated electrons within the fixed-nuclei approximation and the dipole. Results are shown for two different laser pulse lengths and intensities as well as for a large variety of photon frequencies starting in the 1- and reaching into the 6-photon regime. In order to investigate the influence of the intrinsic diatomic two-center problem even further, two values of the internuclear separation and a newly developed atomic model are considered.
Nikos Iliopoulos School of Naturaln Sciences
,University of Patras
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(2014)
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"Chemical bond and entanglement of electrons in the hydrogen molecule"
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Andreas F. Terzis
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