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Stabilization of Rock Salt ZnO Nanocrystals by Low
Stabilization of Rock Salt ZnO Nanocrystals by Low

... Bulk Energies of Rock Salt and Wurtzite MgxZn1−xO phases. The wurtzite crystal structure has a hexagonal lattice, whereas the conventional unit cells of the rock salt and zinc blende (ZB) crystal structures are cubic. In DFT calculations, comparing results obtained with different lattices can introdu ...
Theoretical study of open-shell van der Waals complexes Anna V. Fishchuk
Theoretical study of open-shell van der Waals complexes Anna V. Fishchuk

... reaction H + H2 → H2 + H [14–22]. This choice was dictated by the fact that it is the most primitive triatomic system, formed from three hydrogen atoms. Hydrogen is the only atom with a known exact analytical expression for its wave function, which was used to construct a basis set representing the ...
The Propagators for Electrons and Positrons 2
The Propagators for Electrons and Positrons 2

oxford chemistry primers
oxford chemistry primers

... course given to second-year undergraduates at Oxford University. The topic is important for several reasons. Spectroscopy provides a direct and accurate method for the determination of the structure of molecules, their dissociation energies, and ionization potentials. A knowledge of the rotational, ...
Effective Hamiltonian in the Problem of a
Effective Hamiltonian in the Problem of a

Theoretical Study of Tautomeric Forms of Uracil and Their
Theoretical Study of Tautomeric Forms of Uracil and Their

... each strand - base pairing and by stacking interactions between the base pairs. Hydrophilic and hydrophobic interactions are also important for the structure and stability of DNA. Charged and highly polar phosphate-deoxyribose chain is exposed to the solvent while less polar nitrogenous bases are he ...
Single component and binary mixtures of BECs in double
Single component and binary mixtures of BECs in double

... If the system is fully condensed, then the eigenvalues are 1 and 0. The eigenvector corresponding to 1 is, Departure from 0,1 indicates the system is fragmented B. Juliá-Díaz, Trobades Científiques de la Mediterrània, Menorca, 2010 ...
Matrix Mechanics and Wave Mechanics - Philsci
Matrix Mechanics and Wave Mechanics - Philsci

Temporal decay of Neel order in the one
Temporal decay of Neel order in the one

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... feature of the Gaussian wave packet is that it gives an exact solution to the Schrödinger equation with quadratic potentials, given that the parameters governing the dynamics of the wave packet follow a set of ordinary differential equations (ODEs) that is essentially Hamilton’s equations of classi ...
Atomic Physics Division Fachverband - DPG
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... Mixtures of trapped atoms and ions form exciting new systems enabling the study of quantum chemistry, ultracold collisions and polaronic physics. Possible applications include sympathetic cooling of ions, ion-assisted detection of atoms and quantum simulation. In the ultracold regime the quantum dyn ...
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Chaotic ionization of a highly excited hydrogen atom
Chaotic ionization of a highly excited hydrogen atom

... Besides many systems, Rydberg atoms and wave packets have been particularly useful in studying how classically chaotic dynamics is manifested in their quantum-mechanical counterparts. This is because Rydberg atoms provide a real non-separable physical system with just a few degrees of freedom whose ...
Recent progress in symplectic algorithms for use in quantum systems
Recent progress in symplectic algorithms for use in quantum systems

Decay properties of spectral projectors with applications to
Decay properties of spectral projectors with applications to

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... (LFQ) of constrained dynamical systems. Study of canonical structure, constrained dynamics, operator solutions and Hamiltonian, path Integral and BRST quantization of field theories, string theories and D-brane actions using the Dirac's relativistic IF and LF dynamics and construction and quantizati ...
Chiral Tunnelling in a Twisted Graphene Bilayer
Chiral Tunnelling in a Twisted Graphene Bilayer

... a potential barrier U(x), which has a rectangular shape with width of D and height of E + ΔU (here E is the incident energy of the electron, ΔU is the energy difference between the potential barrier and the incident energy, and ΔU > 0 in our calculation). The potential barrier is infinite along the ...
Theory and simulation of polar and nonpolar polarizable fluids
Theory and simulation of polar and nonpolar polarizable fluids

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Quantum Chaos, Transport, and Decoherence in Atom

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... P38. Adiabatic elimination of a qubit transducer from stochastic quantum dynamics. Quantum jumps monitoring in optomechanical system Denis Vasilyev, University of York, UK P39. Rydberg atoms in time-varying electric fields: sensing electrical noise and monitoring many-body interactions Valentina Zhe ...
Superconducting Qubits and the Physics of Josephson Junctions
Superconducting Qubits and the Physics of Josephson Junctions

... is thus needed so that nonideal behavior can be more readily identified, understood, and eliminated. Although we will not discuss specific imperfections of junctions in this paper, we want to describe a clear and precise model of the Josephson junction that can give an intuitive understanding of the ...
PCCP PERSPECTIVE
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Spin filtering and entanglement detection due to spin-orbit interaction
Spin filtering and entanglement detection due to spin-orbit interaction

... triplet states. This investigation is an extension of previous work on semiconductor cross-junctions,23,58 in which also SOI effects59–61 were investigated. Due to the different band structure of CNTs and SOI effects, our results are quite different, and a comparison will be made accordingly below. ...
Thermopower of atomic-size metallic contacts
Thermopower of atomic-size metallic contacts

... While breaking the contact by increasing the piezovoltage, the usual plateaus in the conductance are observed [1,2,4,8]. When heating one side of the contact we observe steps in the thermopower which occur simultaneously with conductance jumps from one plateau to the next. Each measured curve produc ...
1/2
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... Only some values of the energy are available : a discrete number of states Nucleons are fermions : Two nucleons can not occupy the same quantum state : the Pauli principle ...
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Tight binding

In solid-state physics, the tight-binding model (or TB model) is an approach to the calculation of electronic band structure using an approximate set of wave functions based upon superposition of wave functions for isolated atoms located at each atomic site. The method is closely related to the LCAO method used in chemistry. Tight-binding models are applied to a wide variety of solids. The model gives good qualitative results in many cases and can be combined with other models that give better results where the tight-binding model fails. Though the tight-binding model is a one-electron model, the model also provides a basis for more advanced calculations like the calculation of surface states and application to various kinds of many-body problem and quasiparticle calculations.
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