DERIVATION OF ZERO-DIMENSIONAL AVERAGED VALUES

MUNDIM KC, LAFORGUE A

COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II
312: (12) 1419-1424 JUN 6 1991



Cited References : 25              Times Cited : 0

Abstract:
        The quantities commonly in use to describe molecules are dimensionless indices. When they are quantum mechanical mean values, that implies important consequences which are reviewed in Part I.
         In part II, we discuss the equivalency between the Basic Symmetric Operators (BSO) and the Grassmann algebra approach whose rules are mentioned [equation (1)]. This connection is expressed by the relation of equivalency [equation (2)] extended to a non-orthogonal basis [equation (3)].
         In part III we formulate the relation of equivalency in the two electrons case [equation (4)] and we discuss a more complex example, the way to define the "molecular hardness". In Part IV we conclude that the use of computers could favour the exterior algebra formalism.

KeyWords Plus:  2ND QUANTIZATION, ELECTRON

Addresses:
MUNDIM KC, CTR BRASILEO PESQUISAS FIS, RUA XAVIER SIGAND 150, BR-2290 RIO DE JANEIRO, RJ, BRAZIL.
UFBCL, INST FIS, BR-4000 SALVADOR, BRAZIL.
FAC SCI REIMS, F-51062 REIMS, FRANCE.

Publisher:     GAUTHIER-VILLARS, PARIS
IDS Number:   FQ860
ISSN:  1251-8069