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
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
INIS
- Country of Publication
- Canada
- Country of Input or Organization
- Canada
- INIS RN
- 23081489
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ACCURACY; CONVERGENCE; ELECTRONIC STRUCTURE; HYDROGEN IONS 2 PLUS; HYDROGEN IONS 3 PLUS; MOLECULAR MODELS
- Descriptors DEC
- CATIONS; CHARGED PARTICLES; HYDROGEN IONS; IONS; MATHEMATICAL MODELS; MOLECULAR IONS