A Song About Coupled-Cluster Calculations with Perturbative Triples.
Wednesday, June 15, 2011 at 7:45AM | by Otter 
An excellent online friend, Kevin, posted in a thread on what makes up a "gold standard" in our various lines of work. He's a chemist, and replied, "Coupled-cluster calculations with singles, doubles, and perturbative triples with a correlation consistent triple zeta plus polarization basis set are the gold standard for computing ground state wavefunctions of electrons in molecules."
Somebody asked, "Is that English?" So I felt the world had gone long enough without something they could hum on that topic:
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To the tune of Supercalifragilisticexpialidocious:
Chorus:
Coupled-cluster calculations, with perturbative triples:
Describes a many-bodied system that stiffens your nipples
A mathematic menage à trois, it's better when we tipples,
Coupled-cluster calculations, with perturbative triples!
Um-diddle-diddle-diddle um-dee-ly,
Um-diddle-diddle-diddle um-dee-ly....
When I was a little lad, I wondered, What the fuck?
Quantum 'lectrons' positions seemed to just be luck.
But then one day I learned just how to find a coupled pair:
I did the math, and verified it was here and it was there.
(Chorus)
Um-diddle-diddle-diddle um-dee-ly,
Um-diddle-diddle-diddle um-dee-ly....
If your Hamiltonian and psi are out of whack,
You need excited threesomes just to get the balance back:
so ram your amsatz in your Slater determ'nant and (shock!)
You'll tell your mates you've never had a better Hartree-Fock!
(Chorus)
Um-diddle-diddle-diddle um-dee-ly,
Um-diddle-diddle-diddle um-dee-ly....
Hopefully my little ditty more than clarifies:
This solution guarantees extensivity size:
Triplets will ensure that this is how our knowledge goes:
Give me coupled clusters, see how big my knowledge grows!
(Chorus)
Reader Comments (2)
That is so awesome. I am going to share this with all of my computational chemist friends.
You're my inspiration, dude. Some days your muse just wakes up and says, "Computational chemistry. It's the new magical realism."