Publications
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Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
Two extended basis sets (termed 5–31G and 6–31G) consisting of atomic orbitals expressed as fixed linear combinations of Gaussian functions are presented for the first row atoms...
Nonlinear Dimensionality Reduction by Locally Linear Embedding
Many areas of science depend on exploratory data analysis and visualization. The need to analyze large amounts of multivariate data raises the fundamental problem of dimensional...
An Analysis of Transformations
Summary In the analysis of data it is often assumed that observations y 1, y 2, …, yn are independently normally distributed with constant variance and with expectations specifi...
A new optimizer using particle swarm theory
The optimization of nonlinear functions using particle swarm methodology is described. Implementations of two paradigms are discussed and compared, including a recently develope...
Evaluating Goodness-of-Fit Indexes for Testing Measurement Invariance
Abstract Measurement invariance is usually tested using Multigroup Confirmatory Factor Analysis, which examines the change in the goodness-of-fit index (GFI) when cross-group co...
Numerical solution of initial boundary value problems involving maxwell's equations in isotropic media
Maxwell's equations are replaced by a set of finite difference equations. It is shown that if one chooses the field points appropriately, the set of finite difference equations ...
IQ-TREE 2: New Models and Efficient Methods for Phylogenetic Inference in the Genomic Era
Abstract IQ-TREE (http://www.iqtree.org, last accessed February 6, 2020) is a user-friendly and widely used software package for phylogenetic inference using maximum likelihood....