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Articles 1 - 7 of 7
Full-Text Articles in Physics
Quantum-State Information Retrieval In A Rydberg-Atom Data Register, J. Ahn, Chitra Rangan, D.N. Hutchinson, P.H. Bucksbaum
Quantum-State Information Retrieval In A Rydberg-Atom Data Register, J. Ahn, Chitra Rangan, D.N. Hutchinson, P.H. Bucksbaum
Physics Publications
The connections between the phase retrieval protocol in a Rydberg data register were shown via an impulsive half-cycle pulse and the more general problem of constructing a database-search algorithm. The sensitivity of the phase retrieval to the peak HCP field was explained by multimode interference. By programming the initial wave packet and the HCP, it was possible to create the correct interference conditions to produce any desired energy eigenstates.
Lithium Transition Energies And Isotope Shifts: Qed Recoil Corrections, Z. C. Yan, Gordon W. F. Drake
Lithium Transition Energies And Isotope Shifts: Qed Recoil Corrections, Z. C. Yan, Gordon W. F. Drake
Physics Publications
The quantum electrodynamic recoil correction for lithium in the 22S1/2, 32S1/2 and 22PJ states was evaluated, and its impact on lithium isotope shifts was examined. The nonrelativistic variational wave functions were constructed from fully correlated basis sets in Hylleraas coordinates. Results for the total transition frequencies were shown to be in good agreement with experiment, but there were discrepancies between theory and experiment for isotope shift in the fine structure splitting for 1s22p2P state.
Ground-State Energies For Helium, H-, And Ps-, Gordon W. F. Drake, M. M. Cassar, R. A. Nistor
Ground-State Energies For Helium, H-, And Ps-, Gordon W. F. Drake, M. M. Cassar, R. A. Nistor
Physics Publications
Nonrelativistic energy and other properties of He, H- and Ps- were discussed using a triple basis set in Hylleraas coordinates. The stability and efficiency of the computational method was compared with the quasirandom method. Results showed that the triple basis set in Hylleraas coordinates is capable of exceeding the accuracy of calculations for three-body system based on quasirandom Monte Carlo methods.
Electronic-Structure-Based Investigation Of Magnetism In The Fe8 Molecular Magnet, Mark R. Pederson, Jens Kortus, S. N. Khanna
Electronic-Structure-Based Investigation Of Magnetism In The Fe8 Molecular Magnet, Mark R. Pederson, Jens Kortus, S. N. Khanna
Physics Publications
We have performed density-functional-based electronic structure calculations on a single Fe8 molecular nanomagnet. Our calculated total moments and local moments are in excellent agreement with experiment. By including spin–orbit coupling we determine the easy, medium, and hard axes and find the ordering of the principle axes also agrees with experiment. From our calculated anisotropy Hamiltonian, we calculate the oscillations in the tunnel splittings and compare to the experimental results.
Caging Of Ni Clusters By Benzene Molecules And Its Effect On The Magnetism Of Ni Clusters, B. K. Rao, P. Jena
Caging Of Ni Clusters By Benzene Molecules And Its Effect On The Magnetism Of Ni Clusters, B. K. Rao, P. Jena
Physics Publications
Global optimization of the geometry of small Ni clusters interacting with benzene molecules yields equilibrium structures where the Ni atoms find themselves caged between the benzene molecules. This leads to quenching of the Ni magnetic moment in most of the complexes even though the structure of the caged Ni clusters remain relatively unchanged from their otherwise free gas phase geometry. The accuracy of these predictions, based on density functional theory with generalized gradient approximation for exchange and correlation, is established by the good agreement achieved between the calculated and available experimental dissociation energies and ionization potentials.
Spectroscopy Of Ni-N(Benzene)(M) Anion Complexes, B. K. Rao, P. Jena
Spectroscopy Of Ni-N(Benzene)(M) Anion Complexes, B. K. Rao, P. Jena
Physics Publications
Total energy calculations based on the generalized gradient approximation to the density functional theory reveal that the Ni(benzene) and Ni(benzene)2 anions are unstable against autodetachment of the additional electron while other anion complexes containing more than one Ni atom are stable. Although the adiabatic electron affinities increase with Ni content, they are significantly smaller than those in pure Ni clusters containing the same number of Ni atoms. The difference between adiabatic electron affinities and vertical detachment energies are around 0.2 eV in most cases, indicating that the equilibrium geometries of Nin(benzene)−m are not significantly altered from their corresponding neutral geometries. …
Magnetic Moment And Anisotropy In Fencom Clusters, J. Kortus, T. Baruah, M. R. Pederson, C. Ashman, Shiv N. Khanna
Magnetic Moment And Anisotropy In Fencom Clusters, J. Kortus, T. Baruah, M. R. Pederson, C. Ashman, Shiv N. Khanna
Physics Publications
Electronic structure calculations of FenCom (n+m=5 and 13) are used to examine the effects of alloying on the magnetic moment and magnetic anisotropies. Our density-functional studies show that many mixed clusters have moments comparable to or higher than the pure clusters. The mixed clusters, however, have very low anisotropies and could be ideal as soft magnetic materials. It is shown that shape, composition, and compositional ordering must be considered for optimization of anisotropy energies.