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

  • 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/10.1088/0953-4075/48/17/175003

Additional details

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