4.4 Article

Full configuration-interaction calculations of the angular quantities for helium atom

Journal

COMPUTATIONAL AND THEORETICAL CHEMISTRY
Volume 1135, Issue -, Pages 1-5

Publisher

ELSEVIER SCIENCE BV
DOI: 10.1016/j.comptc.2018.05.004

Keywords

Helium atom; Angular quantities; Configuration interaction

Funding

  1. National Natural Science Foundation of China [11504128]

Ask authors/readers for more resources

The angular quantities and < cos theta(12)> for helium atom in both ground and singly-excited states are calculated in the framework of full configuration interaction. The two-electron system wave functions are expanded in terms of the product of Slater-type orbitals. The convergence and accuracy of reported results are examined in detail. From the comparison with previous work, it is shown that the present work establishes the most accurate prediction of the quantity for helium atom up to the present. Radial quantities of < r(<)>, < r(>)>, < r >, and < r(12)> are also reported and compared with previous calculations.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.4
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available