Journal article
Thermodynamic dual descriptor
Abstract
A new definition of the dual descriptor, namely, the thermodynamic dual descriptor, is developed within the grand canonical potential formalism. This new definition is formulated to describe the same physical phenomenon as the original definition proposed by Morell, Grand, and Toro-Labbé (J. Phys. Chem. A 2005, 109, 205), which is characterized by a second-order response of the electron density towards an electron flux. To formulate the new …
Authors
Franco-Pérez M; Gázquez JL; Ayers PW; Vela A
Journal
Wuli Huaxue Xuebao Acta Physico Chimica Sinica, Vol. 34, No. 6, pp. 683–691
Publication Date
March 20, 2018
DOI
10.3866/PKU.WHXB201801031
ISSN
1000-6818