(NO TITLE).

Abstract

Contents: Non-Empirical LCAO-SCF Calculation on Formyl Fluoride with Gaussian Atomic Orbitals; Non-Empirical Calculations on the Ethylene Molecule; SCF Calculations on H2O, Using Gaussian Functions; Molecular Integrals Over Slater Orbitals; The b and c Coefficients That Are Used in Some Expressions for Multicenter Molecular Integrals; Four Center Integrals--Gaussian and Slater Functions; Configuration Interaction; The Ewald Method for the Self-Consistent APW Problem; Calculation of the Fourier Series by Three Dimensional Numerical Integration and its Application to the APW Problem; Energy Bands in Silver Chloride.

Document Details

Document Type
Technical Report
Publication Date
Oct 15, 1963
Accession Number
AD0420620

Entities

Organizations

  • Massachusetts Institute of Technology

Tags

DTIC Thesaurus Topics

  • Alkenes
  • Atomic Orbitals
  • Chemical Compounds
  • Chlorides
  • Coefficients
  • Energy Bands
  • Ethylenes
  • Fluorides
  • Fourier Series
  • Integrals
  • Mathematics
  • Molecules
  • Numerical Integration
  • Physical Properties
  • Three Dimensional

Readers

  • Calculus or Mathematical Analysis
  • Quantum Chemistry

Technology Areas

  • Space