PMID- 20095685
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20100325
LR  - 20100125
IS  - 1089-7690 (Electronic)
IS  - 0021-9606 (Linking)
VI  - 132
IP  - 2
DP  - 2010 Jan 14
TI  - Two-dimensional electronic spectra from the hierarchical equations of motion 
      method: Application to model dimers.
PG  - 024505
LID - 10.1063/1.3293039 [doi]
AB  - We extend our previous study of absorption line shapes of molecular aggregates 
      using the Liouville space hierarchical equations of motion (HEOM) method [L. P. 
      Chen, R. H. Zheng, Q. Shi, and Y. J. Yan, J. Chem. Phys. 131, 094502 (2009)] to 
      calculate third order optical response functions and two-dimensional electronic 
      spectra of model dimers. As in our previous work, we have focused on the 
      applicability of several approximate methods related to the HEOM method. We show 
      that while the second order perturbative quantum master equations are generally 
      inaccurate in describing the peak shapes and solvation dynamics, they can give 
      reasonable peak amplitude evolution even in the intermediate coupling regime. The 
      stochastic Liouville equation results in good peak shapes, but does not properly 
      describe the excited state dynamics due to the lack of detailed balance. A 
      modified version of the high temperature approximation to the HEOM gives the best 
      agreement with the exact result.
FAU - Chen, Liping
AU  - Chen L
AD  - Beijing National Laboratory for Molecular Sciences, State Key Laboratory for 
      Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, 
      Chinese Academy of Sciences, Zhongguancun, Beijing 100190, China.
FAU - Zheng, Renhui
AU  - Zheng R
FAU - Shi, Qiang
AU  - Shi Q
FAU - Yan, Yijing
AU  - Yan Y
LA  - eng
PT  - Journal Article
PL  - United States
TA  - J Chem Phys
JT  - The Journal of chemical physics
JID - 0375360
EDAT- 2010/01/26 06:00
MHDA- 2010/01/26 06:01
CRDT- 2010/01/26 06:00
PHST- 2010/01/26 06:00 [entrez]
PHST- 2010/01/26 06:00 [pubmed]
PHST- 2010/01/26 06:01 [medline]
AID - 10.1063/1.3293039 [doi]
PST - ppublish
SO  - J Chem Phys. 2010 Jan 14;132(2):024505. doi: 10.1063/1.3293039.