Variational optimization of the two-electron reduced-density matrix under pure-state N-representability conditions

2016 ◽  
Vol 145 (16) ◽  
pp. 164109 ◽  
Author(s):  
A. Eugene DePrince
Author(s):  
Sambarta Chatterjee ◽  
Nancy Makri

We investigate the time evolution of the reduced density matrix (RDM) and its purity in the dynamics of a two-level system coupled to a dissipative harmonic bath, when the system is initially placed in one of its eigenstates.


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