Solving the Schroedinger Wave Eq. for Li Atom

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Discussion Overview

The discussion revolves around setting up the Schrödinger Wave Equation for the lithium atom, focusing on the complexities introduced by multiple electrons and their interactions. Participants explore the implications of electron-electron interactions and seek guidance on formulating the Hamiltonian operator.

Discussion Character

  • Homework-related
  • Exploratory
  • Technical explanation

Main Points Raised

  • One participant expresses understanding of the basic setup of the Schrödinger equation but feels uncertain about handling multiple electrons and their interactions.
  • Another participant suggests that the question may primarily require the correct Hamiltonian operator that accounts for all interactions, although they acknowledge their own uncertainty.
  • A participant seeks clarification on what factors to consider when calculating the Hamiltonian for multiple electrons, specifically questioning the relevance of charge and electron energy.
  • There is a mention of the electron-electron interaction term, represented as e²/ri,j, where ri,j denotes the distance between pairs of electrons.

Areas of Agreement / Disagreement

Participants do not reach a consensus on the best approach to account for electron-electron interactions, and multiple views on the formulation of the Hamiltonian remain present.

Contextual Notes

Participants express uncertainty regarding the treatment of electron-electron interactions and the specific factors to include in the Hamiltonian operator, indicating a lack of clarity in their previous coursework.

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Homework Statement


Set up the Schroedinger Wave Equation for Li. Hint: Don’t forget to consider electron-electron
interactions.


Homework Equations


H^[tex]\Psi[/tex]=E[tex]\Psi[/tex], etc.


The Attempt at a Solution


I understand how to set up the equation, i.e. how to use the H^ operator, obtain solutions for [tex]\Psi[/tex], and I'm fairly sure I can solve it (for H anyway). I'm more unsure of how to solve it for multiple electron atoms than anything else. I'm guessing that I'll have to do it three times, once for each electron. Is this correct? Also, where do I begin to account for electron-electron interactions? I'm not sure what this means, as we never explicitly went over it in class. Does this pertain to the charges, or just positions? I'm not asking anyone to do the problem for me (I'd much rather do it myself actually), but if someone could give me a place to start, I'd appreciate it; I'm completely lost.
 
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I suppose question asks just for correct H operator, one that takes all interactions into account. But I can be wrong, my Quantum Chemistry long ago fall apart leaving just a pinch of rust.

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methods
 
Thanks, Borek, I actually hadn't considered that. I'm planning on going to a review session tomorrow night so hopefully I'll be able to get some help with this then. Any idea on what factors to consider (i.e. charge? electron energy?) when calculating the Hamiltonian operator for multiple electrons? I don't want to seem like I'm asking the professor to just give me answers.
 
e2/ri,j for each pair of electrons (where ri,j is a distance)?

Don't treat me too seriously, I am sneezing. I am sneezing because I had to dust my quantum chemistry book to check if I am right. I don't remember seeing book with that thick layer of dust. I have to take a shower.

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methods
 
Lol, I understand

Well that seems to be a good place for me to start. Thanks a lot for your help.
 

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