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Additional
LCAO
English Wikipedia - The Free Encyclopedia
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Linear combination of atomic orbitals
A
linear combination of atomic orbitals
or
LCAO
is a
quantum superposition
of
atomic orbitals
and a technique for calculating
molecular orbitals
in
quantum chemistry
. In quantum mechanics,
electron configurations
of atoms are described as
wavefunctions
. In mathematical sense, these wave functions are the
basis set
of functions, the basis functions, which describe the electrons of a given atom. In
chemical reactions
, orbital wavefunctions are modified, i.e. the
electron cloud
shape is changed, according to the type of atoms participating in the
chemical bond
.
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