Accession Number:

AD0293240

Title:

STUDIES ON THE ALTERNANT MOLECULAR ORBITAL METHOD. IV. GENERALIZATION OF THE METHOD TO STATES WITH DIFFERENT MULTIPLICITIES

Descriptive Note:

Corporate Author:

UPPSALA UNIV (SWEDEN)

Personal Author(s):

Report Date:

1962-08-01

Pagination or Media Count:

1.0

Abstract:

A general gormulation of the alternant molecular orbital method, applicable to states of differ nt multiplicities in systems wit an even nu ber of atoms, is presented. The treatment is formulated in such a way that the same integral sum ppear in t e e ergy expression for the stat belonging to different multiplicities. T e resultant energy expression s ow a simple dependence on the mi ing parameter Lambda . Application to cyclic sys ems shows that t e best lambda values decrease lowly with increasing multiplicity. Comparison with the configur tion interaction reatment reveals that t e MO method corresponds to a restricted CI tr atment, but it is capable of yielding a considerable part of the energy improvement obtain d by the latter method. Author

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Distribution Statement:

APPROVED FOR PUBLIC RELEASE