Wave function of bonding orbital of Hydrogen molecule

In summary, the conversation discusses the search for the wavefunction of the bonding orbital of the hydrogen molecule. It is noted that there is no complete analytical solution for the Hydrogen atom Schrödinger equation, so approximations must be used. Suggestions for further reading on the topic are given, including a book on quantum chemistry and an article on molecular bonding. It is also mentioned that the description in terms of orbitals is an approximation, with the LCAO and valence bond descriptions being commonly used. The topic is noted as more suitable for the atomic, solid state, and computational physics forum.
  • #1
Gavroy
235
0
Hi

I am currently looking for the wavefunction of the bonding orbital of the hydrogen molecule. Does anybody here know how this one might look like? So, since there is no complete analytical solution for the Hydrogen atom Schrödinger equation, I am currently looking for approximations of this one.
 
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  • #2
Any book on quantum chemistry has an at length discussion of that topic, e.g. Ira N. Levine, Quantum Chemistry.
A crisp introduction into molecular bonding is also the following article by Kutzelnigg:
http://muddyhighheels.com/forum/viewforum.php?f=7

Also note that a description in terms of orbitals is itself an approximation, called molecular orbital theory.
To a lowest approximation, the orbitals in H2 are simply taken as a normalized sum the the two 1s orbitals of the two hydrogens (LCAO approximation, linear combination of atomic orbitals).
A valence bond description of the hydrogen molecule, which doesn't use molecular orbitals at all and was also introduced by Heitler and London before the MO description, performs somewhat better.

Finally this question is more apt for the atomic, solid state and computational physics forum.
 

Related to Wave function of bonding orbital of Hydrogen molecule

1. What is a wave function?

A wave function is a mathematical function that describes the behavior and properties of a particle or system. It contains information about the position, momentum, and energy of the particle or system.

2. How does the wave function of bonding orbital of Hydrogen molecule differ from that of an isolated Hydrogen atom?

The wave function of bonding orbital of Hydrogen molecule is a combination of the wave functions of the two individual Hydrogen atoms. This means that the electron in the bonding orbital is shared between the two atoms, while in an isolated Hydrogen atom, the electron is localized around the nucleus of that single atom.

3. What is the significance of the wave function of bonding orbital of Hydrogen molecule?

The wave function of bonding orbital of Hydrogen molecule is significant because it describes the electron density distribution between the two Hydrogen atoms in a covalent bond. This helps us understand the strength and stability of the bond.

4. Can the wave function of bonding orbital of Hydrogen molecule be determined experimentally?

No, the wave function of bonding orbital of Hydrogen molecule cannot be directly measured or observed experimentally. It is a theoretical concept that is calculated using mathematical models and equations.

5. How does the wave function of bonding orbital of Hydrogen molecule relate to the physical properties of Hydrogen gas?

The wave function of bonding orbital of Hydrogen molecule plays a crucial role in determining the physical properties of Hydrogen gas, such as its boiling point, melting point, and density. These properties are a result of the interactions between the individual Hydrogen molecules, which are described by their respective wave functions.

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