Table 1.

Optimized parameter values

Temp (°C)	17	23 (RT)	28	46	63	72	85
VH (cm-1)a	b	295
θH (°)c		18
τH (fs)d	71	62	65	66	66	67	68
Γ H e	0.94	1.33	1.48	1.04	1.02	0.90	0.63
σH (cm-1)f	354	374	384	393	416	431	413
VJ (cm-1)g		-123
θJ (°)		52
τJ (fs)	69	65	69	71	72	71	69
Γ J	0.38	0.58	0.59	0.57	0.49	0.40	0.46
σJ (cm-1)	57	50	50	50	60	50	50
σ lin h	354	374	384	393	416	431	413
ε1 (cm-1)i		16325
bj	8.56 ±0.07	10.31 ±0.06	10.40 ±0.06	12.46 ±0.07	13.81 ±0.08	19.59 ±0.08	21.69 ±0.06
d k		0.0079

^aElectronic coupling strength. Parameters with subscript H refer to the H-dimer species.

^bEmpty boxes indicate that a given parameter was fixed at its room temperature value when performing the fit at another temperature.

^cRelative dipole angle of the two monomers.

^dPhenomenological dephasing time.

^eFluorescence quantum yield of doubly-excited state relatively to singly-excited states.

^fLine shape overlap parameter.

^gParameters with subscript J refer to the J-dimer.

^hLinear spectrum line width.

ⁱMonomer transition energy.

^jRatio of H-dimer to J-dimer conformational popultions. Error bars determined according to the method of Lott et al. ²⁰

^kRatio of H-dimer to J-dimer fluorescence quantum yields.