Related Experiment Video
Updated: Jul 19, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Accurate relativistic adapted Gaussian basis sets for Cesium through Radon without variational prolapse and to be
Roberto L A Haiduke1, Albérico B F Da Silva
1Departamento de Química e Física Molecular, Instituto de Química de São Carlos, Universidade de São Paulo, C.P. 780, 13560-970, São Carlos, SP, Brasil.
Abstract:
Accurate relativistic adapted Gaussian basis sets (RAGBSs) from Cs (Z = 55) through Rn (Z = 86) without variational prolapse were developed by using the polynomial version of the Generator Coordinate Dirac-Fock method. The RAGBSs presented here can be used with any of two popular finite nucleus models, the uniform sphere and the Gaussian models. The largest RAGBS error is 4.5 mHartree for Radon with a size of 30s27p17d11f.
More Related Videos
10:33Expedited Radiation Biodosimetry by Automated Dicentric Chromosome Identification (ADCI) and Dose Estimation
Published on: September 4, 2017
08:04Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Related Concept Videos
Gauss's Law: Cylindrical Symmetry
Spherical and Cylindrical Capacitor
Conventionally, considering the symmetry, the electric field between the concentric shells of a spherical capacitor is directed radially outward. The magnitude of the field, calculated by...
Atomic Radii and Effective Nuclear Charge
Gauss's Law: Spherical Symmetry
Gravitation Between Spherically Symmetric Masses
Equations of Motion: Rectangular Coordinates and Cylindrical Coordinates
When a particle moves relative to an inertial frame, the equations of motion can be expressed using rectangular components. If the motion is confined to the x-y plane, the equations having the x and y coordinates only can be used to simplify the mathematical representation.
However, when particles...