PMID- 19739856
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20100115
LR  - 20090910
IS  - 1089-7690 (Electronic)
IS  - 0021-9606 (Linking)
VI  - 131
IP  - 9
DP  - 2009 Sep 7
TI  - Optical line shapes of molecular aggregates: hierarchical equations of motion 
      method.
PG  - 094502
LID - 10.1063/1.3213013 [doi]
AB  - The absorption line shapes of model molecular aggregates are investigated using 
      the recently developed Liouville space hierarchical equations of motion (HEOM) 
      method. The exact results are further exploited for the assessment of several 
      approximation schemes, including the high temperature approximation of HEOM, the 
      stochastic Liouville equation approach, and the perturbative time-local and 
      time-nonlocal quantum master equations (QMEs). The calculations on dimers, larger 
      ring-shaped aggregates, and a model of the B850 ring in the LH2 of purple 
      bacteria show that while the other approximate methods can give reasonable 
      absorption line shapes over a wide range of parameter regimes, the second-order 
      time-nonlocal QME is generally inaccurate and may give spurious peaks in the 
      absorption spectra.
FAU - Chen, Liping
AU  - Chen L
AD  - Beijing National Laboratory for Molecular Sciences, 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- 2009/09/11 06:00
MHDA- 2009/09/11 06:01
CRDT- 2009/09/11 06:00
PHST- 2009/09/11 06:00 [entrez]
PHST- 2009/09/11 06:00 [pubmed]
PHST- 2009/09/11 06:01 [medline]
AID - 10.1063/1.3213013 [doi]
PST - ppublish
SO  - J Chem Phys. 2009 Sep 7;131(9):094502. doi: 10.1063/1.3213013.