Thursday, April 7, 2016

Review of nuclear quantum effects in water

Chemical Reviews just published an article

Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges 
Michele Ceriotti, Wei Fang, Peter G. Kusalik, Ross H. McKenzie, Angelos Michaelides, Miguel A. Morales, and Thomas E. Markland

(Trivia: 4 out of 7 authors have a surname beginning with M!)

One of the unifying themes in the review is that of competing quantum effects, illustrated above.

This article is a direct outcome of the NORDITA program, "Water - the most anomalous liquid" that I attended about 18 months ago.
Other reviews from the program will appear together in a special issue of the journal.
I must confess I was skeptical that we were going to be able to pull off these reviews, written by large teams of busy and opinionated individuals.
For ours, we are greatly in debt to Tom Markland for his perseverance and leadership.

We welcome any comments about the contents of the review.

1 comment:

  1. Congrats on the paper, a very informative piece of work!

    I have a question. Recently, I performed dielectric spectroscopy on ice down to 1.8 K and found a peak anomaly (splitting) near 1 kHz in the absorption. I confirmed the presence of this effect in heavy ice as well, where which the features are all slightly shifted confirming an isotope effect. I can't pin this down to be due to the concerted tunneling of protons in groups of six since according to neutron scattering experiments, they are supposed to occur at the rate of circa 10^11 Hertz [L. E. Bove et al., PRL 103, 165901 (2009)]. By the way, I think this paper should have been cited by your Chem. Rev. review. Well, my question is, are there any other nuclear quantum effects that you may think of that this can be attributed to?

    Fei Yen