Caculating ground state energy using GTO

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Discussion Overview

The discussion centers on calculating the ground state energy of the hydrogen atom using a single-electron wave function defined by a Gaussian-type orbital (GTO) and the variational principle. Participants explore the application of the variational method in this context, particularly as it relates to homework problems.

Discussion Character

  • Exploratory
  • Homework-related
  • Technical explanation

Main Points Raised

  • One participant proposes using the wave function ψ(r) = N*exp(−ζr²) with ζ as a variational parameter to approximate the ground state energy of hydrogen.
  • Another participant inquires about the variational principle, indicating a desire to understand its relevance to the problem.
  • A participant explains that the variational principle provides an upper bound for the ground state energy, referencing the inequality involving the Hamiltonian and the normalized state.
  • A participant expresses gratitude for the information and indicates they will apply the variational method to their homework, suggesting they were initially confused.

Areas of Agreement / Disagreement

Participants do not appear to reach a consensus on the specifics of the calculation process, and the discussion includes varying levels of understanding regarding the variational principle and its application.

Contextual Notes

Some participants may have missing assumptions or incomplete understanding of the variational method, which could affect their ability to apply it correctly to the problem at hand.

alaa74
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Using the single-electron wave function ψ(r) = N*exp( −ζr2 ) with ζ a variational parameter, how can we calculate the best approximation for the ground state energy of the hydrogen atom?
 
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What do you know about "variational principle"?
 
Just beginning the subject
 
Variational principle can be used to calculate the upper bound of the ground state of a system. This is because
$$
\langle \psi | H | \psi \rangle \geq E_g
$$
where ##\psi## is an arbitrary normalized state and ##E_g## the system's ground state whose Hamiltonian is ##H##.
 
Thank you. I was really lost. now I will work on the variational method to solve the homework . Thanks :-)
 

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