Title 



Natural orbitals in relation to quantum information theory : from model light atoms through to emergent metallic properties
 
Author 



 
Abstract 



The review begins with a consideration of three forms of quantum information entropy associated with Shannon and Jaynes. For model twoelectron spin compensated systems, some analytic progress is first reported. The Jaynes entropy is clearly related to correlation kinetic energy. A way of testing the usefulness of a known uncertainty principle inequality is proposed for a whole class of model twoelectron atoms with harmonic confinement but variable electronelectron interaction. Emerging properties are then studied by reference to bcc Na at ambient pressure and its modeling by "jellium". Jellium itself has collective behavior with changes of the density, especially noteworthy being the discontinuity of the momentum distribution at the Fermi surface. This has almost reduced to zero at r(s) = 100 a.u., the neighborhood in which the quantal Wigner electron solid transition is known to occur. However, various workers have studied crystalline Na under pressure and their results are compared and contrasted. Work by DFT on K, Rb and Cs is discussed, but now with reduced density from the ambient pressure value. The crystalline results for the cohesive energy of these metals as a function of lattice parameters and local coordination number are shown to be closely reproduced by means of ground and excited states for dimer potential energy curves. Then, pair potentials for liquid Na and Be are reviewed, and compared with the results of computer simulations from the experimental structure factor for Na. Finally, magnetic field effects are discussed. First a phenomenological model of the metaltoinsulator transition is presented with an order parameter which is the discontinuity in the Fermi momentum distribution. Lastly, experiments on a twodimensional electron assembly in a GaAs/AlGaAs heterojunction in a perpendicular magnetic field are briefly reviewed and then interpreted.   
Language 



English
 
Source (journal) 



International journal of modern physics: B: condensed matter physics, statistical physics, applied physics.  Singapore  
Publication 



Singapore : 2013
 
ISSN 



02179792
 
Volume/pages 



27:30(2013), p. 126
 
Article Reference 



1330021
 
ISI 



000326678000001
 
Medium 



Eonly publicatie
 
Full text (Publisher's DOI) 


  
