نتایج جستجو برای: lattice energy
تعداد نتایج: 746770 فیلتر نتایج به سال:
Perturbative coefficients for Wilson loops and the static-quark self-energy are extracted from Monte Carlo simulations at weak coupling. The lattice volumes and couplings are chosen to ensure that the lattice momenta are all perturbative. Twisted boundary conditions are used to eliminate the effects of lattice zero modes and to suppress nonperturbative finite-volume effects due to Z(3) phases. ...
We investigate linear energy preserving methods for the Volterra lattice equation as non-canonical Hamiltonian system. The averaged vector field method was applied to the Volterra lattice equation in bi-Hamiltonian form with quadratic and cubic Poisson brackets. Numerical results confirm the excellent long time preservation of the Hamiltonians and the polynomial integrals.
We define, as local quantities, the least energy and momentum allowed by quantum mechanics and special relativity for physical realizations of some classical lattice dynamics. These definitions depend on local rates of finite-state change. In two example dynamics, we see that these rates evolve like classical mechanical energy and momentum.
in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...
Structural and energetic properties of benzoic acid crystals at pressure elevated from ambient condition up to 2.21 GPa were characterized. The directly observed variations of cell parameters and consequently cell volume are associated with many other changes including energetic, geometric, and electronic characteristics. First of all the non-monotonous change of lattice energy are noticed with...
This paper considers the protein energy minimization problem for lattice and off-lattice protein folding models that explicitly represent side chains. Lattice models of proteins have proven useful tools for reasoning about protein folding in unrestricted continuous space through analogy. This paper provides the first illustration of how rigorous algorithmic analyses of lattice models can lead t...
We present the results of an exact diagonalization study of the spin-1/2 Heisenberg antiferromagnet on a two-dimensional version of the pyrochlore lattice, also known as the square lattice with crossings or the checkerboard lattice. Examining the low energy spectra for systems of up to 24 spins, we find that all clusters studied have non-degenerate ground states with total spin zero, and big en...
A theory of solid-state fusion based on the interaction between D and He ion band states within a host lattice is presented. Formation of ion band-state deuterium is thermo-dynamically favored when lattice strain energy is greater than the incremental chemical potential of the band state. The key fusion step is a coalescence fluctuation that converts a twofold occupation state of electrostatic ...
We compute the Isgur-Wise function using heavy quark effective theory formulated on the lattice. The non-relativistic kinetic energy term of the heavy quark is included to the action as well as terms remaining in the infinite quark mass limit. The classical velocity of the heavy quark is renormalized on the lattice and we determine the renormalized velocity non-perturbatively using the energy-m...
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