April 30, 2024, 01:53:49 AM
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Topic: produce a plot of the bonding molecular orbital for the hydrogen molecule ion  (Read 3703 times)

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Offline luketapis

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Using  Excel, produce a plot of the bonding molecular orbital
for the hydrogen molecule ion, H2
+.
The hydrogen molecule ion consists of two positively charged nuclei
separated by a distance of 106 pm and a single negatively charged electron.
Although the Schrodinger equation for the hydrogen atom (two particles) can
be solved to give expressions for the atomic orbitals, it cannot be solved
exactly for the hydrogen molecule ion (three particles). A reasonable
approximation for the ‘molecular orbital’ that describes the motion of the
electron in the hydrogen molecule ion can however be achieved by a linear
combination of the atomic orbitals of the two hydrogen atoms that make up
the ion. This approach is generally referred to as the Linear Combination of
Atomic Orbitals (LCAO) and can be used to describe the bonding and
properties of many molecular species

I have no idea even how to start this exercise, do you have any clue?

Offline fledarmus

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Using  Excel, produce a plot of the bonding molecular orbital
for the hydrogen molecule ion, H2
+.
The hydrogen molecule ion consists of two positively charged nuclei
separated by a distance of 106 pm and a single negatively charged electron.
Although the Schrodinger equation for the hydrogen atom (two particles) can
be solved to give expressions for the atomic orbitals, it cannot be solved
exactly for the hydrogen molecule ion (three particles). A reasonable
approximation for the ‘molecular orbital’ that describes the motion of the
electron in the hydrogen molecule ion can however be achieved by a linear
combination of the atomic orbitals of the two hydrogen atoms
that make up
the ion. This approach is generally referred to as the Linear Combination of
Atomic Orbitals (LCAO) and can be used to describe the bonding and
properties of many molecular species

I have no idea even how to start this exercise, do you have any clue?

In mathematical terms, how would you express a "linear
combination of the atomic orbitals of the two hydrogen atoms"?

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