Published February 1992 | Version v1
Journal article

On the accuracy of the algebraic approximation in electronic structure calculations for the ground states of H32+ and H43+ using basis sets of atom-centred Gaussian-type functions

Creators

  • 1. Rutherford Appleton Lab., Chilton (United Kingdom)

Description

Sequences of even-tempered basis sets of atom-centered Gaussian-type functions are employed to explore the accuracy that can be achieved for the ground state energies of the H32+ and H43+ species in calculations using finite basis sets. These systems are considered as prototypes for the treatment of polyatomic molecules of arbitrary symmetry within the algebraic approximation

Additional details

Publishing Information

Journal Title
Canadian Journal of Chemistry
Journal Volume
70
Journal Issue
2
Series
Can. J. Chem.
Journal Page Range
290-295
ISSN
0008-4042
CODEN
CJCHA