THE FIRST ORDER DENSITY MATRIX FOR A PROJECTED SINGLE DETERMINANT,

Abstract

Work is initiated on a single determinant wave funccion with different orbitals for different spins. Such a function is an eigenfunction of S sub z but not, in general, of S squared. A projection operator is applied to obtain a state of pure total spin and the first order density matrix for the projected state is obtained. The resulcs are greatly simplified by choosing the orbitals in the original function so that their spacial parts are paired. The various components of the density matrix in this basis have off diagonal elements only between paired orbitals. (Author)

Document Details

Document Type
Technical Report
Publication Date
May 01, 1963
Accession Number
AD0422045

Entities

People

  • John E. Harriman

Organizations

  • Uppsala University

Tags

DTIC Thesaurus Topics

  • Algebra
  • Eigenvectors
  • Linear Algebra
  • Mathematics
  • Matrices (Mathematics)

Fields of Study

  • Physics

Readers

  • Finite Element Method (FEM) for solving Partial Differential Equations (PDEs)
  • Life Cycle Cost Analysis
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Space