Despite the fact that in theory it is entirely reducible to quantum mechanics, chemists do not have a mathematical model of water molecules that completely explains its behavior.
Update. Sigfpe has more thoughts at his blog.
Despite the fact that in theory it is entirely reducible to quantum mechanics, chemists do not have a mathematical model of water molecules that completely explains its behavior.
Update. Sigfpe has more thoughts at his blog.
“Despite the fact that…”
A water molecule is two hydrogen atoms and one oxygen atom. Let’s treat the nuclei as single particles. So a water molecule has 2+8=10 electrons and 3 nuceli. So we’re looking at a 13 body system. Let’s drop the two electrons from the inner shell of the oxygen atom so we’re down to 11 bodies. This means we’re looking at a system with 33 degrees of freedom with a highly non-trivial Hamiltonian. To investigate water in ‘bulk’ we need at least 2 molecules. So that’s a 66 dimensional system. We need to solve the Schrodinger equation on a 66-dimensional space. If we discretise this space with just 8 points along each axis we still need 2^198 samples to represent the wavefunction.
So I think you mean “Because of the fact that…” rather than “Despite the fact that…”
But water molecules are so little. How complicated can they be?
For a classical system, I don’t think 33 degrees of freedom would be overwhelming, especially since you could probably make some simplifying assumptions. So I think you’re right that the reason it’s so complicated is strictly a quantum phenomenon. It’s still kinda depressing, though.