Atomic and Molecular Electronic States

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


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

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

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