Matrix elements of the secular determinant for trial functions?

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SUMMARY

The discussion focuses on differentiating the energy equation E(c1,c2) for multi-electron atoms using the quotient rule in quantum mechanics. The equation is defined as E(c1,c2) = [(c1^2*H11 + 2c1c2H12 + c2^2*H22) / (c1^2*S11 + 2c1c2*S12 + c2^2*S22)]. The user encountered discrepancies in their differentiation results compared to the provided answer, which uses the quotient rule to yield E'(c1,c2) = [(2*c1*H11 + 2*c2*H12 - (c1^2*S11 + 2*c1*c2*S12 + c2^2*S22)*(2*c1*H11 + 2*c2*H12)) / (c1^2*S11 + 2*c1*c2*S12 + c2^2*S22)^2]. The constants H and S represent Hamiltonian and overlap matrices, respectively, while c denotes adjustable variables.

PREREQUISITES
  • Understanding of quantum mechanics, specifically wavefunction approximation methods.
  • Familiarity with differentiation techniques, particularly the quotient rule.
  • Knowledge of Hamiltonian (H) and overlap (S) matrices in quantum systems.
  • Basic algebraic manipulation skills for handling complex equations.
NEXT STEPS
  • Study the application of the quotient rule in calculus, focusing on complex functions.
  • Review quantum mechanics textbooks that cover the variation method for multi-electron atoms.
  • Explore online resources or tutorials specifically addressing Hamiltonian and overlap matrices.
  • Practice differentiating similar energy equations to reinforce understanding of the quotient rule.
USEFUL FOR

Students and researchers in quantum mechanics, particularly those working on wavefunction approximations and multi-electron atom models, will benefit from this discussion.

MontavonM
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This is the quantum part for solving wavefunctions of mulit-electron atoms that need to be approximated by the variation method.

Specifically we are supposed to differentiate this equation using the quotient rule :

E(c1,c2) = [(c1^2*H11 + 2c1c2H12 + c2^2*H22) / (c1^2*S11 + 2c1c2*S12 + c2^2S22)]

Our book only shows the way to do it using the product rule after you bring the bottom onto the initial left side of the equation...

H and S are constants, with c as the adjustable variable of the equation... I think.

I've finished the differentiation but I got a different answer than I should have (we were given the answer)... Could anyone refer me to a website or something that shows the quotient rule? Thanks in advance!
 
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The answer using the quotient rule is as follows: E'(c1,c2) = [(2*c1*H11 + 2*c2*H12 - (c1^2*S11 + 2*c1*c2*S12 + c2^2*S22)*(2*c1*H11 + 2*c2*H12)) / (c1^2*S11 + 2*c1*c2*S12 + c2^2*S22)^2]
 

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