The BERKELEY system. III. General configuration-interaction methods for open-shell molecular electronic states

1978 ◽  
Vol 14 (5) ◽  
pp. 603-612 ◽  
Author(s):  
Bernard R. Brooks ◽  
Henry F. Schaefer
Keyword(s):  
Configuration Interaction ◽  
Electronic States ◽  
Open Shell ◽  
Molecular Electronic ◽  
General Configuration

Configuration Interaction Study of the Low-Lying Electronic States of Silicon Monoxide

2003 ◽  
Vol 107 (1) ◽  
pp. 148-158 ◽  
Author(s):  
Surya Chattopadhyaya ◽  
Anjan Chattopadhyay ◽  
Kalyan Kumar Das
Keyword(s):  
Configuration Interaction ◽  
Electronic States ◽  
Silicon Monoxide ◽  
Interaction Study

Spectroscopic properties of theX 1Σ+anda 3Π electronic states of CF+, SiF+, and CCl+by multireference configuration interaction

1990 ◽  
Vol 93 (3) ◽  
pp. 1889-1894 ◽  
Author(s):  
Kirk A. Peterson ◽  
R. Claude Woods ◽  
Pavel Rosmus ◽  
Hans‐Joachim Werner
Keyword(s):  
Configuration Interaction ◽  
Electronic States ◽  
Spectroscopic Properties

scholarly journals Independent Sources of Information-Theoretic Descriptors of Electronic States

2020 ◽  
pp. 106-115
Author(s):  
Roman F. Nalewajski
Keyword(s):  
Information Sources ◽  
Electronic States ◽  
The State ◽  
Sources Of Information ◽  
Molecular Electronic ◽  
Information Theoretic ◽  
State Entropy ◽  
Phase Current ◽  
Electronic Wavefunctions ◽  
Information Order

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.

Atomic and Molecular Electronic States

2012 ◽  
pp. 1-25
Author(s):  
Wai-Kee Li ◽  
Yu-San Cheung ◽  
Kendrew Kin Wah Mak ◽  
Thomas Chung Wai Mak
Keyword(s):  
Electronic States ◽  
Molecular Electronic
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