On Saturday, March 7, 2020 at 6:45:38 AM UTC-6, John Clark wrote: > > > On Sat, Mar 7, 2020 at 7:10 AM Philip Thrift <[email protected] > <javascript:>> wrote: > > > >>"The most elegant interpretation of quantum mechanics is the universe >>> is constantly splitting." >> >> >> *> A joke, right?* >> > > Yes if you think the Schrodinger equation meaning what it says is funny. > Personally I wouldn't consider that to be a knee slapper but comedy is a > purely subjective matter. > > John K Clark > > >
The Schrödinger equation is just a neural network. Deep neural network solution of the electronic Schrödinger equation Jan Hermann <https://arxiv.org/search/physics?searchtype=author&query=Hermann%2C+J>, Zeno Schätzle <https://arxiv.org/search/physics?searchtype=author&query=Sch%C3%A4tzle%2C+Z> , Frank Noé <https://arxiv.org/search/physics?searchtype=author&query=No%C3%A9%2C+F> (Submitted on 16 Sep 2019 (v1 <https://arxiv.org/abs/1909.08423v1>), last revised 6 Dec 2019 (this version, v2)) The electronic Schrödinger equation describes fundamental properties of molecules and materials, but can only be solved analytically for the hydrogen atom. The numerically exact full configuration-interaction method is exponentially expensive in the number of electrons. Quantum Monte Carlo is a possible way out: it scales well to large molecules, can be parallelized, and its accuracy has, as yet, only been limited by the flexibility of the used wave function ansatz. Here we propose PauliNet, a deep-learning wave function ansatz that achieves nearly exact solutions of the electronic Schrödinger equation. PauliNet has a multireference Hartree-Fock solution built in as a baseline, incorporates the physics of valid wave functions, and is trained using variational quantum Monte Carlo (VMC). PauliNet outperforms comparable state-of-the-art VMC ansatzes for atoms, diatomic molecules and a strongly-correlated hydrogen chain by a margin and is yet computationally efficient. We anticipate that thanks to the favourable scaling with system size, this method may become a new leading method for highly accurate electronic-strucutre calculations on medium-sized molecular systems. > > @philipthrift -- You received this message because you are subscribed to the Google Groups "Everything List" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/everything-list/8af0e442-00b7-4258-936d-7bb05c1475c4%40googlegroups.com.
