Nuclear charge and atomic orbitals

In summary, using hydrogen-like orbitals for other atoms will result in a scaling factor for r that depends on Z and the mass of the nucleus. This will affect the number of nodes and probability density. It is not recommended to use hydrogen-like orbitals for anything other than hydrogen and helium, as it will result in incorrect results. For a proper approximation of the orbitals, one can use AO functions from a generally contracted Gaussian basis set, such as the ANO-RCC sets. STO-anything sets should be avoided as they are even less accurate.
  • #1
kthejohnster
23
0
If I use hydrogen-like orbitals for other atoms, how are the number of nodes and probability density affected?
 
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  • #2
Assuming you are considering one-electron atoms (or negelcting electron-electron interactions), then the only difference is in a scaling factor for ##r## that depends on ##Z##. Note that this scaling factor also depends on the mass of the nucleus (if you are not considering an infinitely heavy nucleus).
 
  • #3
For other atoms (more than one electron), the number of nodes of the H-like orbitals should be fine, but the probability density would be just wrong. Using hydrogen-like orbitals for anything else than hydrogen and helium is highly NOT recommended! As least not if you care about the results you get.

If you need a proper approximation of the orbitals, you can use the AO functions of a generally contracted Gaussian basis set from quantum chemistry. For example, the ANO-RCC sets should be very accurate and useful for such a purpose. Depending on your case, much smaller Gaussian sets might also do the trick. (but stay away from STO-anything sets--these are even worse than using H-orbitals).
 

1. What is nuclear charge?

Nuclear charge is the positive charge present in the nucleus of an atom. It is equal to the number of protons in the nucleus and determines the overall charge of the atom.

2. How does nuclear charge affect atomic orbitals?

Nuclear charge affects atomic orbitals by attracting negatively charged electrons towards the positively charged nucleus. This attraction results in the electrons being arranged in specific energy levels or orbitals around the nucleus.

3. What is the relationship between nuclear charge and atomic size?

The larger the nuclear charge, the smaller the atomic size. This is because the increase in nuclear charge results in a stronger attraction between the nucleus and the electrons, pulling them closer together and reducing the overall size of the atom.

4. How does the number of protons in the nucleus affect the number of electrons in an atom?

The number of protons (nuclear charge) in the nucleus determines the number of electrons in an atom. In a neutral atom, the number of electrons is equal to the number of protons. For example, an atom with 8 protons will have 8 electrons.

5. Can nuclear charge be changed?

No, nuclear charge cannot be changed without altering the identity of the atom. The number of protons in the nucleus determines the element, so changing the nuclear charge would result in a different element with different properties.

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