Looking for atomic energy level database

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SUMMARY

The discussion centers on the search for a database that provides energy level diagrams of atoms, specifically focusing on cadmium (Cd). The user has consulted the NIST Atomic database but found it lacking in the desired diagrams. They mention using Gaussian, a quantum chemistry software, to calculate atomic orbitals, resulting in 24 energy levels but lacking clarity on the specific designations of these levels (e.g., 3s, 4d). A suggestion is made to review generated log files from Gaussian for additional information on orbitals and energy levels.

PREREQUISITES
  • Understanding of quantum chemistry principles
  • Familiarity with Gaussian software for computational chemistry
  • Knowledge of atomic structure and energy levels
  • Ability to interpret log files generated by quantum chemistry software
NEXT STEPS
  • Explore the NIST Atomic database for additional resources on atomic energy levels
  • Learn how to interpret Gaussian log files for orbital information
  • Research quantum chemistry methods for calculating energy levels
  • Investigate other quantum chemistry software alternatives to Gaussian
USEFUL FOR

Researchers in quantum chemistry, students studying atomic physics, and professionals working with computational chemistry who need to understand atomic energy levels and orbital designations.

einstein1921
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Hello,everyone! I want to know if there is database which can tell me the energy level diagram of atom. I have consulted NIST Atomic database,but I can't find energy level diagram. so anybody can help me ? I WANT to get the energy leverl diagram like hydrogen atom in modern books(potential energy is 0 at infinite) Thank you!
ps: I want to get the energy level diagram of Cd
I want to know the energy of 1s electron if we set infinite potential energy to zero!
 
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Usually it can be calculated using quantum chemistry softwares like Gaussian. Without software it is tough.
 
Kholdstare said:
Usually it can be calculated using quantum chemistry softwares like Gaussian. Without software it is tough.
Thank you for your reply! take Cd example, I calculate the atomic orbital with Gaussian! there are 24 energy level,but I don't know which energy level is 3s, which is 4d and so on! would you please to help! Thank you!
 

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einstein1921 said:
Thank you for your reply! take Cd example, I calculate the atomic orbital with Gaussian! there are 24 energy level,but I don't know which energy level is 3s, which is 4d and so on! would you please to help! Thank you!

Have you tried to read the generated logfiles? Those may contain information regarding orbitals and energy.
 

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