Low-frequency logarithmic discretization of the reservoir spectrum for improving the efficiency of hierarchical equations of motion approach.
J Chem Phys
; 147(7): 074111, 2017 Aug 21.
Article
en En
| MEDLINE
| ID: mdl-28830182
ABSTRACT
An efficient low-frequency logarithmic discretization (LFLD) scheme for the decomposition of fermionic reservoir spectrum is proposed for the investigation of quantum impurity systems. The scheme combines the Padé spectrum decomposition (PSD) and a logarithmic discretization of the residual part in which the parameters are determined based on an extension of the recently developed minimum-dissipaton ansatz [J. J. Ding et al., J. Chem. Phys. 145, 204110 (2016)]. A hierarchical equations of motion (HEOM) approach is then employed to validate the proposed scheme by examining the static and dynamic system properties in both the Kondo and noninteracting regimes. The LFLD scheme requires a much smaller number of exponential functions than the conventional PSD scheme to reproduce the reservoir correlation function and thus facilitates the efficient implementation of the HEOM approach in extremely low temperature regimes.
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01-internacional
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MEDLINE
Idioma:
En
Revista:
J Chem Phys
Año:
2017
Tipo del documento:
Article
País de afiliación:
China