On the accuracy of the algebraic approximation in molecular electronic structure calculations. I. Calculations for H2+, HeH2+, H2and HeH+using basis sets of atom-centred Gaussian-type functions-Reference-Cited by-同舟云学术

On the accuracy of the algebraic approximation in molecular electronic structure calculations. I. Calculations for H2+, HeH2+, H2and HeH+using basis sets of atom-centred Gaussian-type functions

Published:1989-05-14 Issue:9 Volume:22 Page:1285-1295
ISSN:0953-4075
Container-title:Journal of Physics B: Atomic, Molecular and Optical Physics
language:
Short-container-title:J. Phys. B: At. Mol. Opt. Phys.

Author:

Wells B H,Wilson S

Publisher

IOP Publishing

Subject

Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://stacks.iop.org/0953-4075/22/i=9/a=004/pdf

Reference61 articles.

1. Even‐tempered atomic orbitals. III. Economic deployment of Gaussian primitives in expanding atomic SCF orbitals

2. Ab Initio Computations in Atoms and Molecules

3. Geometrical basis set for molecular computations

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