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Martin - マーチン ♦
Martin - マーチン ♦
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What is the biggest known difference between $r_e$rₑ and $r_0$r₀?

What is the biggest known difference between $r_e$ and $r_0$? Where $r_0$ is the average bond length of the lowest vibrational state,
  and $r_e$ is the location where the potential is lowest.

For a perfect harmonic oscillator, these are the same (notice that the peak probability is exactly at the minimum of the potential):

enter image description herepeak probability of lowest vibrational state and harmonic oscillator

What is the largest known difference between $r_e$ and $r_0$ in a real molecule?

This is important because the CRC Handbook on Chemistry and Physics almost always gives $r_0$ because that's what can be determined more easily from experiment, but ab initio geometry optimization almost always gives $r_e$, yet many publications do not even say which type of bond length they are reporting.

What is the biggest known difference between $r_e$ and $r_0$?

$r_0$ is the average bond length of the lowest vibrational state,
 $r_e$ is the location where the potential is lowest.

For a perfect harmonic oscillator, these are the same (notice that the peak probability is exactly at the minimum of the potential):

enter image description here

What is the largest known difference between $r_e$ and $r_0$ in a real molecule?

This is important because the CRC Handbook on Chemistry and Physics almost always gives $r_0$ because that's what can be determined more easily from experiment, but ab initio geometry optimization almost always gives $r_e$, yet many publications do not even say which type of bond length they are reporting.

What is the biggest known difference between rₑ and r₀?

What is the biggest known difference between $r_e$ and $r_0$? Where $r_0$ is the average bond length of the lowest vibrational state, and $r_e$ is the location where the potential is lowest.

For a perfect harmonic oscillator, these are the same (notice that the peak probability is exactly at the minimum of the potential):

peak probability of lowest vibrational state and harmonic oscillator

What is the largest known difference between $r_e$ and $r_0$ in a real molecule?

This is important because the CRC Handbook on Chemistry and Physics almost always gives $r_0$ because that's what can be determined more easily from experiment, but ab initio geometry optimization almost always gives $r_e$, yet many publications do not even say which type of bond length they are reporting.

Tweeted twitter.com/StackChemistry/status/1165322898942414849
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user1271772
user1271772
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What is the biggest known difference between $r_e$ and $r_0$?

$r_0$ is the average bond length of the lowest vibrational state,
$r_e$ is the location where the potential is lowest.

For a perfect harmonic oscillator, these are the same (notice that the peak probability is exactly at the minimum of the potential):

enter image description here

What is the largest known difference between $r_e$ and $r_0$ in a real molecule?

This is important because the CRC Handbook on Chemistry and Physics almost always gives $r_0$ because that's what can be determined more easily from experiment, but ab initio geometry optimization almost always gives $r_e$, yet many publications do not even say which type of bond length they are reporting.