Croatica Chemica Acta, Vol. 56 No. 1, 1983.
Original scientific paper
Molecular Orbital Resonance Theory: Matrix Elements of One-particle Operators
Tomislav P. Živković
; Ruder Boskovic Institute, POB 1016, 41001 Zagreb, Yugoslavia
Abstract
In the Molecular Orbital Resonance Theory (MORT) each
resonance structure is defined as an antisymmetrised product of
mutually disjunct bond orbitals. In the present paper expressions ·
for overlaps and matrix elements of one-particle operators between
MORT resonance structures are derived.
Keywords
Hrčak ID:
194239
URI
Publication date:
15.4.1983.
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