Regularity, Complexity, and Approximability of Electronic Wavefunctions

Author(s):  
Harry Yserentant
2020 ◽  
pp. 106-115
Author(s):  
Roman F. Nalewajski

The need for resultant measures of the Information-Theoretic (IT) content of molecular electronic wavefunctions, combining the information contributions due to the probability and phase/current distributions, is reemphasized. Complementary measures of the state entropy (disorder) and information (order) contents are reexamined, the continuities of wavefunction components are summarized, and the probability acceleration concept is used to determine the current and information sources. The experimental elimination of the state uncertainties is discussed and limitations in this information-acquirement process imposed by the Heisenberg indeterminacy principle are commented upon.


1978 ◽  
Vol 68 (4) ◽  
pp. 1402-1410 ◽  
Author(s):  
Reinhart Ahlrichs ◽  
Maria Hoffmann‐Ostenhof ◽  
Thomas Hoffmann‐Ostenhof

2004 ◽  
Vol 42 (1) ◽  
pp. 87-106 ◽  
Author(s):  
Søren Fournais ◽  
Maria Hoffmann-Ostenhof ◽  
Thomas Hoffmann-Ostenhof ◽  
Thomas Østergaard Sørensen

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