scholarly journals Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping

2017 ◽  
Vol 147 (21) ◽  
pp. 214113 ◽  
Author(s):  
Antoine Carof ◽  
Samuele Giannini ◽  
Jochen Blumberger
1984 ◽  
Vol 3 (1) ◽  
pp. 134-148 ◽  
Author(s):  
Armen Tashchian ◽  
Mark E. Slama ◽  
Roobian O. Tashchian

Several recent studies have attempted to use factor analysis to determine the underlying dimensions of attitudes toward energy conservation. This research takes a different approach. Milstein [1979] hypothesized that three factors are related to energy conservation, and in this article, scales are developed for each of the three factors. Confirmatory factor analysis is employed to affirm that the three scales actually represent three separate attitudinal dimensions. In addition, appropriate tests are made for the internal consistency and nomological validity of each of the scales. The results show that belief in material growth and belief in technology are related to the energy conservation effort while cynicism regarding the cause of the energy crisis does not affect conservation behavior. Implications for public policy are discussed.


1999 ◽  
Vol 103 (47) ◽  
pp. 9399-9407 ◽  
Author(s):  
Jian-Yun Fang ◽  
Sharon Hammes-Schiffer

1982 ◽  
Vol 37 (9) ◽  
pp. 985-999
Author(s):  
H. K. Wimmel

Abstract Various guiding-center drift theories are presented that are optimized in respect of consistency. They satisfy exact energy conservation theorems (in time-independent fields), Liouville’s theorems and appropriate power balance equations. A theoretical framework is given that allows direct and exact derivation of associated drift-kinetic equations from the respective guiding-center drift-orbit theories. These drift-kinetic equations are listed. Northrop's non-optimized theory is dis-cussed for reference, and internal consistency relations of G.C. drift theories are presented.


1988 ◽  
Vol 102 ◽  
pp. 215
Author(s):  
R.M. More ◽  
G.B. Zimmerman ◽  
Z. Zinamon

Autoionization and dielectronic attachment are usually omitted from rate equations for the non–LTE average–atom model, causing systematic errors in predicted ionization states and electronic populations for atoms in hot dense plasmas produced by laser irradiation of solid targets. We formulate a method by which dielectronic recombination can be included in average–atom calculations without conflict with the principle of detailed balance. The essential new feature in this extended average atom model is a treatment of strong correlations of electron populations induced by the dielectronic attachment process.


1981 ◽  
Vol 13 (4) ◽  
pp. 217-221
Author(s):  
Gerald S. Hanna ◽  
Henry H. Scherich ◽  
Edward C. Drahozal
Keyword(s):  

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