ATOMIC SELF-CONSISTENT FIELD CALCULATIONS BY THE EXPANSION METHOD
Abstract
Contents: General theory Calculation of integrals Eigenvectors and eigenvalues SCF iterations and extrapolations Convergence control Exponent variation Output format and options Input format and conventions Limitations of the program
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 01, 1962
- Accession Number
- AD0290668
Entities
People
- C.c.j. Roothaan
- P.s. Bagus
Organizations
- University of Chicago