The model-free Hessian of the extended spectral density function (15.63) is also complicated by the convolution resulting from the use of the parameters {S2f, S2s, τf, τs}. The second partial derivatives with respect to these parameters are presented below.
The second partial derivative of (15.63) with respect to the geometric parameters and is
The second partial derivative of (15.63) with respect to the geometric parameter and the orientational parameter is
The second partial derivative of (15.63) with respect to the geometric parameter and the order parameter S2f is
The second partial derivative of (15.63) with respect to the geometric parameter and the order parameter S2s is
The second partial derivative of (15.63) with respect to the geometric parameter and the correlation time τf is
The second partial derivative of (15.63) with respect to the geometric parameter and the correlation time τs is
The second partial derivative of (15.63) with respect to the orientational parameters and is
The second partial derivative of (15.63) with respect to the orientational parameter and the order parameter S2f is
= τi - + . | (15.96) |
The second partial derivative of (15.63) with respect to the orientational parameter and the order parameter S2s is
= S2fτi - . | (15.97) |
The second partial derivative of (15.63) with respect to the orientational parameter and the correlation time τf is
= (1 - S2f)τi2. | (15.98) |
The second partial derivative of (15.63) with respect to the orientational parameter and the correlation time τs is
= S2f(1 - S2s)τi2. | (15.99) |
The second partial derivative of (15.63) with respect to the order parameter S2f twice is
= 0. | (15.100) |
The second partial derivative of (15.63) with respect to the order parameters S2f and S2s is
= ciτi - . | (15.101) |
The second partial derivative of (15.63) with respect to the order parameter S2f and correlation time τf is
= - ciτi2. | (15.102) |
The second partial derivative of (15.63) with respect to the order parameter S2f and correlation time τs is
= (1 - S2s)ciτi2. | (15.103) |
The second partial derivative of (15.63) with respect to the order parameter S2s twice is
= 0. | (15.104) |
The second partial derivative of (15.63) with respect to the order parameter S2s and correlation time τf is
= 0. | (15.105) |
The second partial derivative of (15.63) with respect to the order parameter S2s and correlation time τs is
= - S2fciτi2. | (15.106) |
The second partial derivative of (15.62) with respect to the correlation time τf twice is
= - (1 - S2f)ciτi2 | (15.107) |
The second partial derivative of (15.62) with respect to the correlation times τf and τs is
= 0. | (15.108) |
The second partial derivative of (15.62) with respect to the correlation time τs twice is
= - S2f(1 - S2s)ciτi2 | (15.109) |
The relax user manual (PDF), created 2020-08-26.