Exploring molecular equilibria using quantum information measures

2013 ◽  
Vol 525 (3) ◽  
pp. 256-268 ◽  
Author(s):  
Roman F. Nalewajski
2018 ◽  
Vol 33 (16) ◽  
pp. 1850088 ◽  
Author(s):  
Ye-Jiao Shi ◽  
Guo-Hua Sun ◽  
Farida Tahir ◽  
A. I. Ahmadov ◽  
Bing He ◽  
...  

In this work, we study the Shannon information entropies [Formula: see text] and [Formula: see text] of an infinite spherical well. The Shannon entropy [Formula: see text] is calculated numerically in terms of the analytical result of the wave function in momentum space. Some typical features of the position and momentum probability densities [Formula: see text] and [Formula: see text] as well as the information entropy densities [Formula: see text] and [Formula: see text] are demonstrated. We find that the position entropy [Formula: see text] increases with the radius a of the spherical well for given quantum numbers l, m and n. It is interesting to note that the position entropy [Formula: see text] decreases with the quantum numbers l and n for a fixed radius a and quantum number m. The position entropy [Formula: see text] is almost independent of the quantum numbers l, m and n. The momentum entropy [Formula: see text] first increases and then decreases with respect to the radius a. We also note that the [Formula: see text] increases with the radius a and finally arrives at a constant. In addition, the Bialynicki–Birula–Mycielski (BBM) inequality is verified and also hold for this confined system.


2015 ◽  
Vol 91 (2) ◽  
Author(s):  
Mario Berta ◽  
Kaushik P. Seshadreesan ◽  
Mark M. Wilde

Author(s):  
Kun Fang ◽  
Hamza Fawzi

AbstractHaving a distance measure between quantum states satisfying the right properties is of fundamental importance in all areas of quantum information. In this work, we present a systematic study of the geometric Rényi divergence (GRD), also known as the maximal Rényi divergence, from the point of view of quantum information theory. We show that this divergence, together with its extension to channels, has many appealing structural properties, which are not satisfied by other quantum Rényi divergences. For example we prove a chain rule inequality that immediately implies the “amortization collapse” for the geometric Rényi divergence, addressing an open question by Berta et al. [Letters in Mathematical Physics 110:2277–2336, 2020, Equation (55)] in the area of quantum channel discrimination. As applications, we explore various channel capacity problems and construct new channel information measures based on the geometric Rényi divergence, sharpening the previously best-known bounds based on the max-relative entropy while still keeping the new bounds single-letter and efficiently computable. A plethora of examples are investigated and the improvements are evident for almost all cases.


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