Electron density in terms of squares of wavefunctions

In summary, the individual is seeking an expression relating electronic densities to the squares of wavefunctions in a quantum system consisting of two layers with an applied electric field. Specifically, they are studying bilayer graphene and are looking for the exact expression for the excess charge density that accumulates at the two layers when a field is applied. This excess charge density is known to be proportional to the square of the wavefunction, but the exact expression is still unknown.
  • #1
Physicslad78
47
0
Dear all,

I have a quantum system made up of two layers. An electric field is applied with two voltages applied at both layers. I want to calculate the electronic densities that reside at the two laters in terms of the wavefunctions obtained from solving the HamiltoniaN..Anyone knows of an expression relating the electronic densities with the squares of the wavefunctions or anywhere I can find this expression?

Thanks

Elie
 
Physics news on Phys.org
  • #2
Square of the wave function is the probability density. But if you have multiple particles, your wave function will be quite complex.
 
  • #3
Hello,

In fact I am working with bilayer graphene under the effect of an external voltage. bilayer graphene has 4 bands 2 valence and 2 conduction ones. when u apply a field some excess charge will acuumulate at the 2 layers; I read that this excess charge density is proportional to the square of the wavefunction but can't get hold of the exact expression.


Thank you
 

FAQ: Electron density in terms of squares of wavefunctions

1. What is electron density in terms of squares of wavefunctions?

Electron density in terms of squares of wavefunctions refers to the probability of finding an electron in a particular region of space, which is represented by the square of the wavefunction. It is a way of describing the distribution of electrons within an atom or molecule.

2. How is electron density related to the Schrodinger equation?

The Schrodinger equation is a mathematical equation that describes the behavior of electrons in a quantum mechanical system. The square of the wavefunction, which represents the electron density, is one of the terms in this equation.

3. What factors influence the electron density in an atom or molecule?

The electron density in an atom or molecule is influenced by several factors, including the number of electrons present, the shape of the atomic or molecular orbitals, and the overall geometry of the system.

4. How is electron density measured experimentally?

Electron density can be measured experimentally using techniques such as X-ray crystallography, which involves directing X-rays at a crystal and analyzing the diffraction pattern to determine the electron density distribution. Other techniques such as electron microscopy and nuclear magnetic resonance spectroscopy can also be used to measure electron density.

5. What is the significance of electron density in chemistry?

Electron density plays a crucial role in determining the chemical and physical properties of atoms and molecules. It is used to explain phenomena such as chemical bonding, molecular shape, and reactivity. Understanding electron density is essential in fields such as drug design, materials science, and catalysis.

Similar threads

Replies
13
Views
2K
Replies
1
Views
1K
Replies
21
Views
2K
Replies
0
Views
606
Replies
8
Views
3K
Replies
6
Views
1K
Replies
36
Views
4K
Back
Top