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sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,765

Website

Calculating information-theoretic quantities

A document "Calculating information-theoretic quantities and some relevant quantities by Multiwfn" has been recently uploaded to "Resources" page of Multiwfn website. This document presents comprehensive examples of using Multiwfn to calculate the various information-theoretic quantities proposed by Shubin Liu's group in recent years. Multiwfn users who want to study information-theoretic quantities are highly recommended to look at it.

Note that a review of information-theoretic quantities written by Shubin Liu has been published in WIREs Comput Mol Sci. very recently (https://doi.org/10.1002/wcms.1461)