Transport properties in dilute gases: an approach using time-correlation functions. Part 1.—Viscosity and thermal conductivity of gases and gas mixtures in which the exchange of molecular internal energy is slow

1980 ◽  
Vol 76 (0) ◽  
pp. 735-746
Author(s):  
Anthony A. Clifford ◽  
Norman Platts
Keyword(s):  
Thermal Conductivity ◽  
Transport Properties ◽  
Internal Energy ◽  
Correlation Functions ◽  
Time Correlation ◽  
Gas Mixtures ◽  
Time Correlation Functions ◽  
Dilute Gases

scholarly journals Mapping approach for quantum-classical time correlation functions

2009 ◽  
Vol 87 (7) ◽  
pp. 880-890 ◽  
Author(s):  
Ali Nassimi ◽  
Raymond Kapral
Keyword(s):  
Transport Properties ◽  
Correlation Functions ◽  
Time Correlation ◽  
Equilibrium Structure ◽  
Rate Coefficients ◽  
Space Representation ◽  
Time Correlation Functions ◽  
Full Phase Space ◽  
Paper Form ◽  
Many Body Systems

The calculation of quantum canonical time correlation functions is considered in this paper. Transport properties, such as diffusion and reaction rate coefficients, can be determined from time integrals of these correlation functions. Approximate quantum-classical expressions for correlation functions, which are amenable to simulation, are derived. These expressions incorporate the full quantum equilibrium structure of the system but approximate the dynamics by quantum-classical evolution where a quantum subsystem is coupled to a classical environment. The main feature of the formulation is the use of a mapping basis where the subsystem quantum states are represented by fictitious harmonic oscillator states. This leads to a full phase space representation of the dynamics that can be simulated without appeal to surface-hopping methods. The results in this paper form the basis for new simulation algorithms for the computation of quantum transport properties of large many-body systems.

scholarly journals Two-time correlation functions: stochastic and conventional quantum mechanics

2005 ◽  
Vol 48 (2) ◽  
pp. 233-242 ◽  
Author(s):  
L. Feligioni ◽  
O. Panella ◽  
Y. N. Srivastava ◽  
A. Widom
Keyword(s):  
Quantum Mechanics ◽  
Correlation Functions ◽  
Time Correlation ◽  
Time Correlation Functions
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