THE EFFECT OF SUBSTITUTION ON THE IONIZATION POTENTIALS OF FREE RADICALS AND MOLECULES. V. EXTENSION OF THE DENSITY MATRIX TREATMENT TO A TWO-BODY MODEL FOR ELECTRONS OUTSIDE A "CORE." Technical Report No. 9

Technical Report · Sat Dec 01 00:00:00 EST 1962

OSTI ID:4643778

Kaufman, J J

Extension was made to a two-body model for a pair of electrons outside a core'' for the treatment by density matrix formulism of a one-body model for an electron outaide a core.'' Differences in ionization potentiala between the parent compounds for the pi electron of alkyl radicals can be developed exactly as a one-body model problem in terms of density matrices. The derivation of the two-body model permits the same effects on the ionization potentials of an electron from the lone pair of substttuted amines to be described by an analogous treatment using the same perturbation Hamiltonian as for substituted alkyl radicals with two electron functions for the lone pair of the nitrogen. (auth)

• Research Organization: Martin-Marietta Corp. Aerospace Div., Baltimore
• DOE Contract Number: NONR-3471(00)
• NSA Number: NSA-17-035669
• OSTI ID: 4643778
• Report Number(s): AD-295124
• Resource Relation: Other Information: Orig. Receipt Date: 31-DEC-63
• Country of Publication: United States
• Language: English

Related Subjects

CHEMISTRY
ALKYL RADICALS
AMINES
CHEMICAL REACTIONS
DENSITY
ELECTRONS
IONIZATION
MANY BODY PROBLEM
MATHEMATICS
MATRICES
MOLECULES
NITROGEN