Related Experiment Video
Updated: Aug 17, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
On the acceleration of the convergence of singular operators in Gaussian basis sets
Krzysztof Pachucki1, Wojciech Cencek, Jacek Komasa
1Institute of Theoretical Physics, Warsaw University, Hoza 69, 00-681 Warsaw, Poland. krp@fuw.edu.pl
Abstract:
Gaussian type wave functions do not reproduce the interparticle cusps which result in a slow convergence of the expectation values of the operators involved in calculations of the relativistic and QED energy corrections. Methods correcting this deficiency are the main topic discussed in this paper. Benchmark expectation values of the singular operators for several few-electron systems are presented.
More Related Videos
Related Concept Videos
Convergence of Fourier Series
The Gibbs phenomenon refers to the persistent oscillations and overshoots that occur near discontinuities...
Convergence of Taylor Series
Region of Convergence of Laplace Tarnsform
Consider a decaying exponential signal that begins at a specific time. When deriving its Laplace transform, the time-domain variable is replaced with a complex variable. This substitution...
Convergence of Sequences
Singularity Functions for Shear
Gauss's Law

