Comparative fit indexes in structural models.
Normed and nonnormed fit indexes are frequently used as adjuncts to chi-square statistics for evaluating the fit of a structural model. A drawback of existing indexes is that th...
Publications
Explore 7,684 academic publications
Showing 12 of
7,684 publications
Numerical Heat Transfer and Fluid Flow
The Special Issue "Numerical Heat Transfer and Fluid Flow 2022" contains scientific articles on experiments and simulations of heat transfer in compressible and incompressible f...
MobileNetV2: Inverted Residuals and Linear Bottlenecks
In this paper we describe a new mobile architecture, MobileNetV2, that improves the state of the art performance of mobile models on multiple tasks and benchmarks as well as acr...
<i>VESTA 3</i> for three-dimensional visualization of crystal, volumetric and morphology data
VESTA is a three-dimensional visualization system for crystallographic studies and electronic state calculations. It has been upgraded to the latest version, VESTA 3 , implement...
A Theory of Cognitive Dissonance
Leon Festinger's theory of cognitive dissonance has been widely recognized for its important and influential concepts in areas of motivation and social psychology. The theory of...
Some methods for classification and analysis of multivariate observations
This paper describes a number of applications of the 'k-means', a procedure for classifying a random sample of points in E sub N. The procedure consists of starting with k group...
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
A new approach to the construction of first-principles pseudopotentials is described. The method allows transferability to be improved systematically while holding the cutoff ra...
Canonical dynamics: Equilibrium phase-space distributions
Nos\'e has modified Newtonian dynamics so as to reproduce both the canonical and the isothermal-isobaric probability densities in the phase space of an N-body system. He did thi...
A smooth particle mesh Ewald method
The previously developed particle mesh Ewald method is reformulated in terms of efficient B-spline interpolation of the structure factors. This reformulation allows a natural ex...
Atherosclerosis — An Inflammatory Disease
Atherosclerosis is an inflammatory disease. Because high plasma concentrations of cholesterol, in particular those of low-density lipoprotein (LDL) cholesterol, are one of the p...
<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
We present ab initio quantum-mechanical molecular-dynamics simulations of the liquid-metal--amorphous-semiconductor transition in Ge. Our simulations are based on (a) finite-tem...
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
Generalized gradient approximations (GGA’s) seek to improve upon the accuracy of the local-spin-density (LSD) approximation in electronic-structure calculations. Perdew and Wang...