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The role of phases in
local
Communication Theory of the Chemical Bond
is investigated. Probability amplitudes of such molecular (
fine
-grained) information
systems originate from the superposition principle of quantum mechanics involving
the projection onto the bond system defined by the subspace of the state occupied
Molecular Orbitals. They are explicitly
phase
-dependent, thus being capable of inter-
ference effects. The phase factors of the local
direct
and
indirect
(bridge, cascade)
channels are examined and the associated amplitude/probability
sum rules
are estab-
lished. The entropic descriptors of the local channels, providing the system “covalent”
(communication-
noise
) and “ionic” (information-
flow
) components, are investigated
using prototype
one
-electron systems. The competition between these information-
theoretic measures of the chemical bond covalency (electron delocalization) and ion-
icity (electron localization) is illustrated in H
+
2
and H
2.
słowa kluczowe w j. angielskim:
covalent/ionic components, information theory, amplitude phases, interference of communications, chemical bonds, local propagations, entropic multiplicities, molecular communications
wydział: instytut / zakład / katedra:
Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego