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Showing 1 to 20 of 727 for “"ground state"”.
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Ground state determination, ground state preserving fit for cluster expansion and their integration for robust CE construction
… we propose strategies to solve the general ground state problem for arbitrary effective cluster interactions and construct ground state preserving cluster expansions. A full mathematical definition of our problem has been formalized to illustrate its generality and clarify our discussion. We …
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Metallic Ground State of Functionalized Carbon Nanotubes
… the bundles. In this thesis, the metallic ground state of one-dimensional (1D) and three-dimensional (3D) systems is investigated on the basis of SWCNTs, using angle-integrated photoemission spectroscopy. In particular, a transition from a 1D to a 3D metallic system, induced by a charge …
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The Ground State of Liquid Helium-4
Made available in DSpace on 2015-05-12T21:41:29Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 6408414.PDF: 1387465 bytes, checksum: 28a061df455a53488735ec3db059706e (MD5) Previous issue date: 1964
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The ground state of liquid helium-four
The properties of the ground state of liquid He-4 are studied using a variational wave function of the form TT f(rij)o The Lennard-Jones 12-6 potential with i<j parameters determined from the gas data by de Boer and Michels is used o The configuration space integrals are performed by the Monte …
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Progress toward ground-state sodium-rubidium molecules
Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2022-11-15 without embargo terms
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Ground state and thermal dynamics of strong interaction
We analyze both the groundstate of strong interaction and its behavior at finite temperature and density within an effective low-energy description of strong interaction. This is done in terms of quarks which interact by a local chiral four-fermion NJL-interaction at a scale of order 1 GeV. To …
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The ground state and angular distributions of Ag18Ì
Thesis (B.S.)--Massachusetts Institute of Technology, Dept. of Physics, 1965.
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Ultracold ²³Na⁶Li molecules in the triplet ground state
… moment of 2 [mu]B in its triplet ro-vibrational ground state. The formation of an ultracold molecule with both electric and magnetic dipole moments allows for novel opportunities in control of ultracold molecular reactions and studies of quantum many-body systems with dipolar interactions. This …
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Spin Polarization of Ground State Electron Gas at Low Densities
… to get a better upper bound for the ground state energies at both variational and fixed-phase level. In order to reduce the finite size effect at small system sizes, we apply Twist Averaged Boundary Conditions on electron gas. To our knowledge, this is the first application on …
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Design, Syntheses, and Bioactivities of Conformationally Locked Pin1 Ground State Inhibitors
Pin1 (protein interacting with NIMA 1) is a peptidyl-prolyl isomerase involved in mitosis. As a potential anti-cancer drug target, Pin1 interacts and regulates the activity of an increasing number of cell cycle enzymes by an unknown mechanism. These cell cycle enzymes include Cdc25, Cdc27, Cyclin …
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A calculation of the ground-state energy of liquid Helium II
… condition. The expectation value for the ground state energy is expressed in terms of a generalized normalization integral. To evaluate the 3-N fold integrals, the normalization integral is approximated by truncating its expansion. After performing the variation, the ground-state energy is …
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De novo prediction of the ground state structure of transition metal complexes.
… methods have been employed to determine ground state geometries of organometallic species. An impressive number of transition metals entailing diverse isomers (e.g., geometric, spin, structural and coordination), different coordination numbers, oxidation states and various numbers of …
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Monte Carlo studies of ground-state & optical properties of multiexcitonic complexes in semiconductors
… and semiconductor impurities. We calculate the ground-state and optical properties of several multiexciton systems within the spherical effective mass approximation, focusing on the role of interparticle correlations which have not been adequately accounted for in previous calculations. We …
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Impurities in a Bose-Einstein condensate using quantum Monte-Carlo methods: ground-state properties.
… its effective mass. We characterize this state by calculating the bosons-boson pair correlation function and by investigating the dependence of the binding energy on the gas parameter of the bosonic bath. We also investigate the ground-state properties of M impurities in a Bose gas at T=0. …
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Monte Carlo studies of ground state and optical properties of multiexcitonic complexes in semiconductors
… and semiconductor impurities. We calculate the ground-state and optical properties of several multiexciton systems within the spherical effective mass approximation, focusing on the role of interparticle correlations which have not been adequately accounted for in previous calculations. We …
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Tunable Electronic Excitations in Hybrid Organic-Inorganic Materials: Ground-State and Many-Body Perturbation Approaches
… with respect to basis sets and unoccupied states is examined. An augmented numeric atom centered orbital basis set is proposed to obtain numerical converged results.</p>
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Ground-state structure and vibrational free energy in first-principles models of subsitutional-alloy thermodynamics
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 1996.
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Exchange-Correlation Kernels Within Time-Dependent Density Functional Theory For Ground-State and Excited-State Properties
… to the time-dependent density, evaluated at the ground-state density. As the XC potential is not known, the exact kernel is also unavailable. Therefore, it must be modeled either using many-body perturbation theory or by satisfying the exact constraints for various prototype systems such as the …
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Ground state and dynamical properties of many-body systems by non conventional Quantum Monte Carlo algorithms
… Carlo techniques suitable for exploring both ground state and dynamical properties of interacting many-body systems. We then apply these techniques to the study of excitations in superfluid He4 and to explore the structure of nuclear systems using chiral effective field theory interactions.
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