What is the Linear Variation Method in Molecular Quantum Mechanics?

In summary, in the chapter 9-5 "The Linear Variation Method" from the book Basic Principles and Techniques of Molecular Quantum Mechanics by Ralph Christoffersen, the author discusses the process of minimizing the energy, E = c†Hc/c†Sc, by setting its derivative with respect to the coefficient cp* equal to zero. The author presents an expression for this process, while the conversation also introduces a different expression using the quotient rule. The speaker questions if they may be mistaken, as the topic of setting the derivative equal to zero was not fully explained until later in the book.
  • #1
Morten
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In the chapter 9-5 "The Linear Variation Method" p. 363 from the book: Basic Principles and Techniques of Molecular Quantum Mechanics by Ralph Christoffersen, the first thing he does is to minimize the energy, E = cHc/cSc, by requiring its derivative with respect to the coefficient cp* to equal zero. He claims the following expression:
dE/dcp* (cSc) + E d/dcp* (cSc) = d/dcp* (cHc) , whereas, by the quotient rule, I would claim:
((dE/dcp*)(cHc)(cSc) - (cHc) dE/dcp*(cSc)) / (cSc)2 = 0 , am I perhaps wrong?
 
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  • #2
The thing was, Ralph indicated strongly the action of setting the derivate equal to zero in that expression but this was postponed to later on in the book as I just read, that was what confused me. For this I am sorry
 

FAQ: What is the Linear Variation Method in Molecular Quantum Mechanics?

What is the linear variation method?

The linear variation method is a mathematical technique used in quantum mechanics to approximate the energy levels and wavefunctions of a system. It involves varying a trial function and using it to calculate the system's energy, then optimizing the trial function to get a better approximation of the true energy.

Why is the linear variation method used in quantum mechanics?

The linear variation method is used in quantum mechanics because it provides a simple yet accurate way to approximate the energy levels and wavefunctions of a system. It is especially useful for systems with multiple particles, where exact solutions are difficult to obtain.

How does the linear variation method work?

The linear variation method involves choosing a trial function that is a linear combination of simpler functions, such as basis functions or eigenfunctions of a known system. The coefficients of the trial function are then varied to minimize the energy, resulting in a better approximation of the true energy.

What are the advantages of using the linear variation method?

The linear variation method has several advantages, including its simplicity, accuracy, and ability to handle complex systems. It also allows for the inclusion of different physical effects, such as electron-electron interactions, making it a versatile tool for studying quantum systems.

Are there any limitations to the linear variation method?

While the linear variation method is a powerful tool, it does have some limitations. It may not give an exact solution for highly complex systems, and the choice of trial function can greatly affect the accuracy of the results. Additionally, it may not be suitable for systems with strong interactions or highly correlated particles.

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