Wow thanks Stefan that was fast.
For the nuclear quadrupole term, the paper references
PD = −0.176(12)· 10−4 cm−1 , PE = 0.13(5) · 10−4 cm−1
and defines the corresponding Hamiltonian as
PD [ Iˆ2 z – 1/3 I(I + 1) ]+ PE ( Iˆ 2 x − Iˆ 2 y )
So I think I can do Qxx = PE-PD/3, Qyy = -PE-PD/3, Qzz = 2*PD/3 , define Sys.Q = [Qxx Qyy Qzz] and multiply by 2.998 to get MHz. yes?
Lastly, he has a nuclear Zeeman term
− µN gN [ Iˆx Bx + Iˆy By + Iˆz Bz ]
gN = +1.38(5) cm−1
is there a keyword?
Regards
Code: Select all
c = 2.998;
Sys.S = 5/2;
Sys.lw = 1;
gperp = 2.00123;
gtang = 2.00131;
Sys.g = [gperp gtang];
Aperp = -88.23*c;
Atang = -87.6*c;
Sys.A = [Aperp Atang];
%
% ZFS terms
%
Sys.B4 = [0 1.12 0 0 -0.047 0 0 0 0]* c; %B34 and B04 terms only
Sys.D = -76.0 * c; %consider adding Dstrain
Sys.E = 0; % consider adding Estrain
%
% Nuclear Quadrupole
%
PD = -0.176*c;
PE = 0.13*c;
Qxx = PE - PD/3;
Qyy = -PE - PD/3;
Qzz =2*PD/3;
Sys.Q = [Qxx Qyy Qzz];
%
% Nuclear zeeman?
%
gN = 1.38;
%
% Spectrometer settings
%
Exp.mwFreq = 9.4;
Exp.Range = [270 400];
Seems about correct
