GJ Székely, ML Rizzo - Journal of statistical planning and inference, 2013 - Elsevier
Energy distance is a statistical distance between the distributions of random vectors, which characterizes equality of distributions. The name energy derives from Newton's gravitational …
L Van Der Maaten - The journal of machine learning research, 2014 - jmlr.org
The paper investigates the acceleration of t-SNE—an embedding technique that is commonly used for the visualization of high-dimensional data in scatter plots—using two …
G Te Velde, FM Bickelhaupt… - Journal of …, 2001 - Wiley Online Library
We present the theoretical and technical foundations of the Amsterdam Density Functional (ADF) program with a survey of the characteristics of the code (numerical integration, density …
An algorithm is presented for the rapid evaluation of the potential and force fields in systems involving large numbers of particles whose interactions are Coulombic or gravitational in …
In the fourteen years since the second edition of this book appeared, linear integral equations have continued to be an active area of mathematics and they have revealed more …
C Fonseca Guerra, JG Snijders, G Te Velde… - Theoretical Chemistry …, 1998 - Springer
One of the most important steps in a Kohn-Sham (KS) type density functional theory calculation is the construction of the matrix of the KS operator (the “Fock” matrix). It is …
S Dapprich, I Komáromi, KS Byun, K Morokuma… - Journal of Molecular …, 1999 - Elsevier
The IMOMM, IMOMO, and ONIOM methods have been proven to be powerful tools for the theoretical treatment of large molecular systems where different levels of theory are applied …
J Song, CC Lu, WC Chew - IEEE transactions on antennas and …, 1997 - ieeexplore.ieee.org
The fast multipole method (FMM) and multilevel fast multipole algorithm (MLFMA) are reviewed. The number of modes required, block-diagonal preconditioner, near singularity …