Superposition of spherical harmonics

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SUMMARY

The discussion centers on the representation of px and py orbitals as linear combinations of spherical harmonics, specifically in the context of hydrogen atom orbitals. The linear combinations are expressed as px = (1/sqrt2)*(Y11 + Y1-1) and py = (1/sqrt2*i)(Y11 - Y1-1). It is established that in hydrogen, spherical harmonics with the same principal quantum number n are energetically degenerate, allowing any linear combination to be a valid solution of the Schrödinger equation. In molecular systems, however, potential perturbations necessitate specific linear combinations for optimal zeroth order solutions.

PREREQUISITES
  • Understanding of spherical harmonics and their role in quantum mechanics
  • Familiarity with quantum numbers (n, l, m) and their significance in atomic orbitals
  • Knowledge of the Schrödinger equation and its applications in quantum chemistry
  • Basic concepts of linear combinations and superposition in quantum states
NEXT STEPS
  • Study the derivation and properties of spherical harmonics in quantum mechanics
  • Explore the implications of linear combinations of orbitals in molecular systems
  • Learn about the role of perturbation theory in quantum chemistry
  • Investigate the applications of the Schrödinger equation in multi-electron systems
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Students and researchers in quantum chemistry, physicists interested in atomic structure, and anyone studying the mathematical foundations of quantum mechanics.

Raman Choudhary
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i am a beginner and was going through (Donald Mcquarie's "quantum chemistry" ) some discussion regarding orbitals of H-atom but i didn't get the logic behind writing px and py orbitals as linear combinations of spherical harmonics?

according to what i understood, a given spherical harmonic in itself represents a orbital depending upon n,l,m ..then how can we write a spherical harmonic as a sum of other two or spherical harmonics with same n,l.

[Mentor's note: moved from "New Member Introduction" forum to here]
[Mentor's note: title changed to be more descriptive]
 
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px = (1/sqrt2)*(Y11+ Y1-1)
py=(1/sqrt2*i)(Y11- Y1-1)
 
Welcome to PF! This forum "New Member Introductions" is for only new member introductions and some chit-chat. Real questions belong in one of our topical forums, such as our "Quantum Physics" forum:

https://www.physicsforums.com/forums/quantum-physics.62/

Please re-post your question there. More people who can actually help you hang out there, as opposed to the few people who hang out here greeting new members.
 
In hydrogen, the spherical harmonics with the same n are all energetically degenerate, so any linear combination is again a solution of the Schrödinger equation. However in molecules, the potential is perturbed and some linear combinations are better zeroth order solutions than others.
 

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