. Author manuscript; available in PMC: 2013 Jul 6.

Published in final edited form as: J Phys Chem A. 2012 Dec 20;117(1):34–41. doi: 10.1021/jp3081707

Table 1. One-Exciton Hamiltonian for the Novoderezhkin and Modified Models, Shown in the Site Basis (Transition Energies Are in cm⁻¹ and Do Not Include Reorganization Energy Shifts)^a.

	P_D1	P_D2	Chl_D1	Chl_D2	Phe_D1	Phe_D2	Chlz_D1	Chlz_D2	P_D1⁻P_D2⁺ (P_D1P_D2)⁺Chl_D⁻
P_D1	15190
	15190
P_D2	147.55	15180
	162.2	15180
Chl_D1	−12.53	−61.88	15000
	−8.66	−56.20	15000
Chl_D2	−53.42	−5.25	12.23	15130
	−59.97	−3.13	11.17	15130
Phe_D1	−0.03	13.98	55.85	−5.07	15050
	−1.56	10.99	56.36	−3.38	15050
Phe_D2	14.67	−4.50	−5.43	51.0	3.47	15060
	9.84	−2.31	−3.29	47.84	1.40	15060
Chlz_D1	−3.18	0.76	−0.69	−0.85	0.93	0.53	15555
	−0.23	0.98	2.20	−0.18	−1.97	−0.11	15555
Chlz_D2	1.25	−3.78	−1.14	0.59	0.66	1.50	−0.08	15485
	0.95	0.51	−0.09	1.88	−0.14	−2.12	0.12	15485
P_D1⁻P_D2⁺ (P_D1P_D2)⁺Chl_D1⁻	35	35	0	0	0	0	0	0	15120
	35	35	35	0	0	0	0	0	15120

The Novoderezhkin parameters are italicized and listed above the corresponding parameters of the updated model. Couplings for the Novoderezhkin model were calculated with 1IZL structure,⁴² while the updated model uses the newer 3ARC structure²).

Table 1. One-Exciton Hamiltonian for the Novoderezhkin and Modified Models, Shown in the Site Basis (Transition Energies Are in cm−1 and Do Not Include Reorganization Energy Shifts)a.

Table 1. One-Exciton Hamiltonian for the Novoderezhkin and Modified Models, Shown in the Site Basis (Transition Energies Are in cm⁻¹ and Do Not Include Reorganization Energy Shifts)^a.