Quantum Mechanical Calculations of Light Metal Diatomic Hydrides, Oxides and Halides

Abstract

Briefly discussed is research involving the use of Hartree-Fock computer programs to calculate molecular wavefunctions.

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Document Details

Document Type
Technical Report
Publication Date
Jun 11, 1970
Accession Number
AD0713977

Entities

People

  • Clemens C. J. Roothaan
  • Juergen Hinze

Organizations

  • University of Chicago

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Accuracy
  • Algorithms
  • Atoms
  • Charge Density
  • Chemistry
  • Computer Programs
  • Computers
  • Contracts
  • Diatomic Molecules
  • Electrons
  • Energy
  • Equations
  • Ground State
  • Hartree Fock Approximation
  • Hydrogen
  • Molecules
  • Wave Functions

Fields of Study

  • Chemistry
  • Physics

Technology Areas

  • Quantum Computing