Energetic Condensed Systems Directions of Conversion and Ways of Use for Determination of Actual Economic, Scientific and Technic Problems

1997 ◽  
pp. 1-10
Author(s):  
A. A. Rodionov ◽  
I. N. Bocharov ◽  
B. P. Zhukov ◽  
A. V. Dranishnickov ◽  
O. N. Ivanov
Keyword(s):  
Energetic Condensed Systems ◽  
Condensed Systems

Combustion Hotspots of Energetic Condensed Systems

2019 ◽  
Vol 55 (6) ◽  
pp. 661-670 ◽  
Author(s):  
Yu. M. Mikhailov ◽  
Yu. B. Kalmykov ◽  
V. V. Aleshin
Keyword(s):  
Energetic Condensed Systems ◽  
Condensed Systems

Physicochemical characteristics of the components of energetic condensed systems

2010 ◽  
Vol 4 (6) ◽  
pp. 916-922 ◽  
Author(s):  
Yu. V. Frolov ◽  
A. N. Pivkina ◽  
S. A. Zav’yalov ◽  
N. V. Murav’ev ◽  
E. A. Skryleva ◽  
...  
Keyword(s):  
Physicochemical Characteristics ◽  
Energetic Condensed Systems ◽  
Condensed Systems

ON THE RELEVANCE OF THE WAVEFUNCTION'S PHASE FACTOR FOR UNDERSTANDING TOPOLOGICAL PROPERTIES OF ATOMS AND MOLECULES IN CONDENSED PHASES: A SIMPLE EXAMPLE

2001 ◽  
Vol 15 (04) ◽  
pp. 403-408 ◽  
Author(s):  
L. DELLE SITE
Keyword(s):  
Atoms In Molecules ◽  
Phase Factor ◽  
Condensed Phases ◽  
Topological Properties ◽  
Atoms And Molecules ◽  
Preceding Work ◽  
Quantum Current ◽  
Condensed Systems ◽  
Simulation Scheme

In preceding work1,2 we proposed a criterion for defining atoms in molecules and in condensed phases based on the determination of the zero flux surface of the quantum current vector which holds the zero flux condition at every point. Here such a surface is calculated analytically in the simple case of a general hydrogen-like wavefunction with a non-constant phase factor. This simple example is then used as a basis to build an easy picture of the basic topological properties of atoms (or molecules) in multiatomic systems; these properties are particularly relevant for a molecular modeling procedure and a subsequent implementation in a simulation scheme. The main goal of this work is to underline with a simple example the importance of the wavefunction's phase factor in defining atoms or molecules in condensed systems (as it has been emphasized in our previous work); this point is important since a largely used theory (for defining atoms and molecules in condensed phases) such as the Bader's theory of atoms in molecules3 systematically neglects the properties of the wavefunction's phase factor.

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