Ideas for a Quick Physical Chemistry project

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SUMMARY

The discussion revolves around selecting a quick computational project in physical chemistry using the Spartan P-Chem software. The user, a Physics major, seeks project ideas closely related to physics, specifically in areas like energy levels and potential wells. Suggestions include exploring topics from Wikipedia's computational chemistry write-up, particularly focusing on solid state physics and electron holes. The user plans to consult their professor for further guidance on a feasible project topic.

PREREQUISITES
  • Familiarity with Spartan P-Chem software
  • Understanding of quantum chemistry concepts
  • Knowledge of solid state physics principles
  • Basic computational chemistry techniques
NEXT STEPS
  • Research "Spartan P-Chem software features and capabilities"
  • Explore "Quantum mechanics in solid state physics"
  • Investigate "Electron holes and their applications in materials science"
  • Review "Computational chemistry methodologies and best practices"
USEFUL FOR

Students in physics or chemistry, particularly those interested in computational projects, as well as educators seeking project ideas for physical chemistry courses.

GTdan
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My professor asked us to think of ideas to do a quick computational project in physical chemistry (he says quick because there are only a few weeks of school left). I will be using the student edition of the Spartan P-Chem software. I really don't have any idea what I should do. I prefer something as closely related to physics as possible given that I am a Physics major. Maybe something related to energy levels, particle in a box, potential well stuff? I don't know. Ideas anyone?
 
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Has no one ever used Spartan or something to do computational chemistry?
 
I'm not much help, but the computational chemistry write-up at wikipedia.org is interesting for me:

http://en.wikipedia.org/wiki/Computational_chemistry

Also, they have a pretty good list of topics in physical chemistry, including quantum chemistry. Do you see anything in the wikipedia lists that looks like a good candidate for your project?
 
Hmmm. Actually, I think that may have helped. The part where it relates it to solid state physics had a few links that kind of sparked my interest. Electron holes sounded good. I'll probably ask my professor about it so see if he can suggest something specific that I can do in a reasonable amount of time. Thanks!
 

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