On entropy/information continuity in molecular electronic states

2015 ◽  
Vol 114 (7-8) ◽  
pp. 1225-1235 ◽  
Author(s):  
Roman F. Nalewajski
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.


Author(s):  
Wai-Kee Li ◽  
Yu-San Cheung ◽  
Kendrew Kin Wah Mak ◽  
Thomas Chung Wai Mak

1979 ◽  
Vol 70 (2) ◽  
pp. 947 ◽  
Author(s):  
William C. Swope ◽  
Yuan-Pern Lee ◽  
Henry F. Schaefer

2021 ◽  
pp. 004-021
Author(s):  
Nalewajski Roman F

The electronegativity-equalization at several hypothetical stages of chemical reactions is reexamined and phase-equalization in open substrates is explored. The equivalence of the energy and information reactivity criteria is stressed and local energy concept is shown to determine time-evolutions of wavefunction components. Independent sources of information content in electronic states are identifi ed and the need for resultant entropy-information measures in quantum mechanics, combining information contributions due to the classical (probability) and nonclassical (phase/current) distributions, is reemphasized. Limitations for a simultaneous removal of uncertainties in the position and velocity distributions imposed by the Heisenberg indeterminacy principle, are discussed, continuities of the wavefunction modulus and phase components are examined, the convectional character of the local source of resultant gradient information is stressed, and a latent (“horizontal”) probability currents in the stationary quantum states are discussed.


2019 ◽  
Vol 99 (1) ◽  
Author(s):  
Wenhui Hu ◽  
Yong Liu ◽  
Sizuo Luo ◽  
Xing Li ◽  
Jiaqi Yu ◽  
...  

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