The definition of the spectra in quantum mechanics

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Discussion Overview

The discussion revolves around the definition of spectra in quantum mechanics, particularly in relation to energy eigenvalues and their implications in various spectroscopic techniques. Participants explore how to explain these concepts to undergraduate students, addressing both theoretical and practical aspects of quantum mechanics and spectroscopy.

Discussion Character

  • Conceptual clarification
  • Debate/contested
  • Technical explanation

Main Points Raised

  • One participant suggests that the spectrum can be calculated by solving the energy eigenvalue problem and relates spectral lines to electromagnetic radiation emitted during transitions between energy states.
  • Another participant questions the clarity of the term "spectrum," noting that it can refer to various types such as atomic emission, absorption, and fluorescence, and emphasizes the complexity of spectroscopy.
  • A participant expresses that the definition of a spectrum as the set of eigenvalues of the Schrödinger equation is overly simplistic and requests further explanation.
  • There is a suggestion that understanding these concepts may require a textbook, indicating the depth and complexity of quantum mechanics.
  • Concerns are raised about the limitations of computational techniques in fully defining spectra, highlighting the unpredictable nature of light-matter interactions.

Areas of Agreement / Disagreement

Participants do not reach a consensus on the definition of spectra, with multiple competing views on its meaning and implications in different contexts. The discussion remains unresolved regarding the clarity and completeness of the definitions provided.

Contextual Notes

Participants express uncertainty about specific terms related to spectra, such as "eigenvalues" and the "Schrödinger equation," and highlight the need for a nuanced understanding of various spectroscopic techniques and their complexities.

Who May Find This Useful

Undergraduate students studying quantum mechanics and spectroscopy, educators seeking to explain these concepts, and researchers interested in the theoretical and practical aspects of spectra in quantum systems.

Asmaa
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TL;DR
I have read that "The spectrum of a substance (gas, liquid or solid) can be defined as the set of all eigenvalues of the Schrodinger equation"

please, Can anyone explain this?
for undergraduate students how to explain this?
 
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The sentence is not entirely correct.

You can calculate the spectrum by first solving for the energy eigenvalue problem for the system. Then the spectral lines, i.e., the electromagnetic radiation emitted when the system undergoes transitions from states of higher energy to lower. In first-order perturbation theory what you get are the dipole transitions, and the frequencies of the radiation are given by the energy-differences: ##\hbar \omega_{\gamma}=E_n-E_m##, where ##E_j## are the bound-state energies of the system.
 
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Can you be more specific about what is unclear? Which of these terms do you not understand?

spectrum

eigenvalues

Schrödinger equation
 
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Also,

"Spectrum" is quite vague. What kind of spectra? Atomic emission, absorption, fluorescence, inelastic scattering? There are many things to consider in some of these techniques, such as the probability of several relaxation processes, intermolecular and intramolecular interactions, solvents.

Spectroscopy is a messy thing. If we could simply use DFT and other computational techniques to define everything, then spectroscopists would be out of a job, and monkeys could do the work.

You can get close to predicting what might happen when light interacts with matter, but there is no theory that can define a "spectrum".
 
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