Gaussian

Much of this book is concerned with autoregressive and moving av­ erage linear stationary sequences and random fields. These models are part of the classical literature in time series analysis, particularly in the Gaussian case.

Gaussian quadrature is a powerful technique for numerical integration that falls under the broad category of spectral methods. The purpose of this work is to provide an introduction to the theory and practice of Gaussian quadrature. We study the approximation theory of trigonometric and orthogonal polynomials and related functions and examine the analytical framework of Gaussian quadrature. We discuss Gaussian quadrature for bandlimited functions, a topic inspired by some recent developments in the analysis of prolate spheroidal wave functions. Algorithms for the computation of the quadrature nodes and weights are described. Several applications of Gaussian quadrature are given, ranging from the evaluation of special functions to pseudospectral methods for solving differential equations. Software realization of select algorithms is provided.

Gaussian 09 is the latest in the Gaussian series of programs. It provides state-of-the-art capabilities for electronic structure modeling. Gaussian 09 is licensed for a wide variety of computer systems. All versions of Gaussian 09 contain every scientific/modeling feature, and none imposes any artificial limitations on calculations other than your computing resources and patience. The Gaussian 09 versions for Windows computers and Power-PC-based Mac OS X computers are known as Gaussian 09W and Gaussian 09M (respectively). Gaussian 09 for Intel-based Mac OS X computers is generally licensed in the same way as other Linux/UNIX versions. A single-CPU 32-bit version is also available as a shrink-wrap licensed product which is known as Gaussian 09IM.

GaussView is the most advanced and powerful graphical interface available for Gaussian. With GaussView, you can import or build the molecular structures that interest you, set up, launch, monitor and control Gaussian calculations, and retrieve and view the results, all without ever leaving the application. GaussView 5 includes many new features designed to make working with large systems of chemical interest convenient and straightforward. It also provides full support for all of the new modeling methods and features in Gaussian 09. This brief introduction will give you a Quick Start to using GaussView 5 to investigate molecules and reactions with Gaussian 09. We invite you to try the techniques described here with your own molecules.