Dr. Gutow's Atomic Orbital Viewer
Atomic orbitals on Kr Atomic orbitals on Cl
Hosted by UW Oshkosh Chemistry
Visualization of occupied atomic orbitals on Kr atom

This page is designed to allow you to manipulate images of atomic orbitals and compare multiple orbitals (up to four) by displaying them simultaneously on one atom. The goal is to help you visualize atomic orbitals and their relative sizes.

You will notice that these orbitals look somewhat different from the orbitals on a one electron hydrogen atom. Generally, orbitals in many electron atoms appear to be somewhat more squat than the equivalent hydrogen atom orbitals. As the nuclear charge increases orbitals also get more compact. This is expected because of the increased electrostatic attraction between the nucleus and each electron.

Below (you may need to scroll down) is a box with a small sphere in it. The sphere represents the location of a krypton nucleus (significantly enlarged so that you can see it). To the right (or below on a narrow screen) are dropdown selectors from which you can choose an orbital to display and control the appearance of each orbital. The orbitals appear in the dropdowns in the order orbitals are filled when assigning configurations using the periodic table: lowest energy (at top) to highest energy (at bottom).

The electronic configuration of a ground state krypton is [Ar]4s23d104p6 , in compact notation simply [Kr] or in fully expanded notation 1s22s2 2p63s23p64s23d104p6. This means that all the shells with electrons in them are fully occupied. Thus, the actual order of orbital energies in the Kr atom (lowest to highest) is: 1s, 2s, 2p, 3s, 3p, 3d, 4s, 4p. Notice this is not the filling order from the periodic table, where the 4s fills before the 3d. Once you reach neutral atoms where the 3d sub-shell is full, the 4s subshell is higher energy than the 3d sub-shell.

 
Orbital 1:
Orbital 2:
Orbital 3:
Orbital 4:
  • Viewer Instructions

    You can interact with the image. It is displayed using JSmol.
    Rotate the image Hold down the mouse button and drag the cursor over the image.
    Zoom the view Hold down the shift key and the mouse button while dragging up or down over the image. On a touchpad two finger drag-up zooms in.
    Many more options in the right-click menu The right-click menu can also be activated by clicking on the JSmol icon at the lower right of the viewer.

    Additional instructions for the viewer.
  • Other visualizations and explanations of atomic orbitals

  • How these orbital images are generated

    These orbital images are based on calculations done using the GAMESS1 ab initio quantum mechanics package. These images are generated on the fly by JSmol/Jmol from the GAMESS.log file of a restricted Hartree-Fock (RHF) single point energy calculation on a ground state Kr using the aug-CC-pVTZ basis set. The computations were done on computer resources and using software maintained by chemcompute.org.2 To aid in visualization of the nodes in the orbitals the volume with 85% probability of containing the electrons is shown, rather than the more common 90% - 95%. This makes the overall extent of the orbitals somewhat smaller than the more common choice.
  • References

    1. M.W.Schmidt, K.K.Baldridge, J.A.Boatz, S.T.Elbert, M.S.Gordon, J.H.Jensen, S.Koseki, N.Matsunaga, K.A.Nguyen, S.Su, T.L.Windus, M.Dupuis, J.A.Montgomery J. Comput. Chem., 14, 1347-1363(1993).
    2. Perri, M. J. and S. H. Weber (2014). "Web-Based Job Submission Interface for the GAMESS Computational Chemistry Program." Journal of Chemical Education 91(12): 2206-2208. (doi:10.1021/ed5004228). These resources have been supported by the NSF through grants 2417553 (chemcompute.org) and ACI-1548562 (XSEDE).
Last Update: October 23, 2026
Expires: --
J. Gutow