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. Author manuscript; available in PMC: 2021 Aug 11.
Published in final edited form as: J Chem Theory Comput. 2020 Jul 14;16(8):5287–5300. doi: 10.1021/acs.jctc.0c00132

Table 1.

Notation Used in This Work

symbol meaning
bi coherent scattering length for atom i
i, j, k, ... labels individual atoms
k, k (neutron) wavevector and its magnitude
q, q wavevector difference and its magnitude
qx, qy, qz Cartesian components of q
r, r point in 3D real space and its distance to the origin
x, y, z Cartesian components of r
I(q),I¯(q) intensity at detector, intensity per unit area
IΩ(q) orientationally averaged intensity at detector
ı −1
rD, rD position of detector relative to sample; distance to detector
f˜ Fourier transform of real-space function f
ψ(r) neutron wave function
βLA(z) laterally averaged scattering length density, units length−2
b¯ total transverse scattering per unit area, dzβ(z)
β˜(q) Fourier transform of β(z), units length−1
β(r) instantaneous scattering length density
βw bulk solvent scattering length density
B(r) scattering-length-weighted distribution of pair separations
B¯(r) scattering-length-weighted distribution of pair separations, per unit area
⟨···⟩Ω orientational average
A area of a bilayer patch
Lx, Ly, Lz dimensions of a simulation box