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For the molecules Be 2 , F 2 , and P 2 of Table For these broken-symmetry solutions, the UHF atomization energies become 17, 220, and 141 kcalmol, respectively, and the mean absolute error of all the UHF atomization ener...

An unknown quantum state \ensuremath{\Vert}\ensuremath{\varphi}〉 can be disassembled into, then later reconstructed from, purely classical information and purely nonclassical Einstein-Podolsky-Rosen (EPR) correlations....

Materias / palabras clave: Massless particle; Dirac fermion; Graphene; Fermion; Physics; Dirac (video compression format); Mathematical physics; Quantum mechanics; Neutrino

Materias / palabras clave: Physics; Event horizon; Black hole (networking); Black hole thermodynamics; Gravitation; Entropy (arrow of time); Baryon; Micro black hole; Quantum mechanics; Event (particle physics); Particle physics; Computer network

A number of extensions to the multisolution approach to the crystallographic phase problem are discussed in which the negative quartet relations play an important role. A phase annealing method, related to the simulated ...

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Abstract This paper discusses the applicability of statistics to a wide field of problems. Examples of simple and complex distributions are given.

This paper uses an intertemporal general equilibrium asset pricing model to study the term structure of interest rates. In this model, anticipations, risk aversion, investment alternatives, and preferences about the timi...

Anomaly detection is an important problem that has been researched within diverse research areas and application domains. Many anomaly detection techniques have been specifically developed for certain application domains...

Materias / palabras clave: Attractor; Turbulence; Mathematics; Statistical physics; Mathematical analysis; Physics; Meteorology

The dispersion and absorption of a considerable number of liquid and dielectrics are represented by the empirical formula ε*−ε∞=(ε0−ε∞)/[1+(iωτ0)1−α]. In this equation, ε* is the complex dielectric cons...

We present an efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set. In the first part the application of Pulay's DIIS method (direct inversion ...

Following upon the general theory in Part I, a considerable simplification is here introduced in the treatment of the case where the grain centers of the new phase are randomly distributed. Also, the kinetics of the main...

Americanae nace como un proyecto conjunto que surge dentro de la Red Europea de Información y Documentación sobre América Latina (REDIAL), y que ha afrontado la Biblioteca de la Agencia Española de Cooperación Inter...

Materias / palabras clave: Physics; Particle physics; Higgs boson; Large Hadron Collider; Standard Model (mathematical formulation); Atlas detector; Boson; Atlas (anatomy); Nuclear physics; ATLAS experiment; Physics beyond the Standard Model; Hist...

The probability of a configuration is given in classical theory by the Boltzmann formula $\mathrm{exp}[\ensuremath{-}\frac{V}{\mathrm{hT}}]$ where $V$ is the potential energy of this configuration. For high temperatures ...

There is a deep and useful connection between statistical mechanics (the behavior of systems with many degrees of freedom in thermal equilibrium at a finite temperature) and multivariate or combinatorial optimization (fi...

An N⋅log(N) method for evaluating electrostatic energies and forces of large periodic systems is presented. The method is based on interpolation of the reciprocal space Ewald sums and evaluation of the resulting convol...

Materias / palabras clave: Plasmon; Photonics; Limit (mathematics); Diffraction; Nanotechnology; Engineering physics; Physics; Optics; Materials science; Mathematics; Mathematical analysis

Materias / palabras clave: Sketch; Action (physics); Markov process; Markov decision process; Convergence (economics); Computer science; Q-learning; Simple (philosophy); Mathematical optimization; Dynamic programming; Artificial intelligence; Math...

Materias / palabras clave: Mathematics; Linear operators; Characterization (materials science); Pure mathematics; Operator theory; Algebra over a field; Applied mathematics; Mathematical analysis; Physics; Optics; Bounded function

A method is given for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector. The integration can be over the entire Brillouin zone ...

A diagram has been devised that can provide a concise statistical summary of how well patterns match each other in terms of their correlation, their root‐mean‐square difference, and the ratio of their variances. Alth...

Materias / palabras clave: Collective action; Public good; Action (physics); Business; Political science; Mathematical economics; Economics; Neoclassical economics; Physics; Law; Quantum mechanics; Politics