Published September 14, 2015
| Version v1
Journal article
Mathematical and computational science issues in high precision Hylleraas-configuration interaction variational calculations: III. Four-electron integrals
Creators
- 1. National Institute of Standards and Technology, Gaithersburg, MD 20899-8911 (United States)
- 2. Departments of Chemistry and Computer Science, Indiana University, Bloomington, Indiana 47405 (United States)
Description
The Hylleraas-configuration interaction (Hy-CI) four-electron correlated integrals and their associated X auxiliary integrals are discussed. We explore the feasibility of the use of recursive methods for the X auxiliary integrals for all the cases that arise in Hy-CI calculations. The question of calibrating the calculation of these integrals is discussed, as well as ways to improve the work. (paper)
Availability note (English)
Available from http://dx.doi.org/10.1088/0953-4075/48/17/175003Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. B, Atomic, Molecular and Optical Physics
- Journal Volume
- 48
- Journal Issue
- 17
- Journal Page Range
- [15 p.]
- ISSN
- 0953-4075
- CODEN
- JPAPEH
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 47103523
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S97: MATHEMATICAL METHODS AND COMPUTING;
- Descriptors DEI
- ACCURACY; CONFIGURATION INTERACTION; CORRELATIONS; ELECTRONS; VARIATIONAL METHODS
- Descriptors DEC
- CALCULATION METHODS; ELEMENTARY PARTICLES; FERMIONS; LEPTONS