Error analysis for fitted parameters of NaCs interaction potential
of S. G. H. Brookes and J. M. Hutson, J. Phys. Chem. A (2022)


Uncertainties in observables used in error analysis

     1   E_00     with uncertainty  0.11000000000000000       MHz
     2   E_-1^hp  with uncertainty  0.10000000000000001       MHz
     3   E_-1^ha  with uncertainty   2.0000000000000001E-004  GHz
     4   B_res^aa with uncertainty   5.0000000000000003E-002  G


Potential parameters varied in fits

          R_SR,0           R_SR,1           C6               C8
Unit      A                A                cm-1 A^6         cm-1 A^8
Scaling   1.0000           1.0000           2000000.0000     100000000.0000


Input Jacobian wrt scaled parameters

                   1                2                3                4
     1     0.0000000000     0.0000000000   -53.2400000000   -25.6000000000
     2     0.0000000000  -686.5000000000  -690.5600000000  -226.3000000000
     3   415.7000000000  -360.7000000000 -1784.3600000000  -588.9000000000
     4   -10.4000000000  1687.7000000000  1626.7400000000   580.4000000000


Jacobian weighted by uncertainties

                   1                2                3                4
     1  0.000000000E+00  0.000000000E+00 -0.484000000E+03 -0.232727273E+03
     2  0.000000000E+00 -0.686500000E+04 -0.690560000E+04 -0.226300000E+04
     3  0.207850000E+07 -0.180350000E+07 -0.892180000E+07 -0.294450000E+07
     4 -0.208000000E+03  0.337540000E+05  0.325348000E+05  0.116080000E+05


Hessian matrix in scaled parameter units

                   1                2                3                4
     1  0.432016229E+13
     2 -0.374858177E+13  0.325379871E+13
     3 -0.185439681E+14  0.160916119E+14  0.795996217E+14
     4 -0.612014566E+13  0.531081310E+13  0.262706335E+14  0.867022017E+13


Parameter sensitivities in unscaled parameter units

R_SR,0      4.81E-07
R_SR,1      5.54E-07
C6          2.24E-01
C8          3.40E+01


Variance-covariance matrix in unscaled parameter units

                   1                2                3                4
     1  0.325282966E-04
     2 -0.915477081E-05  0.260078619E-05
     3  0.616328045E-05 -0.149227406E-05  0.373037964E-05
     4  0.989408645E-05 -0.353368596E-05 -0.603837880E-05  0.274447510E-04


Parameter uncertainties in unscaled parameter units

R_SR,0      5.70E-03
R_SR,1      1.61E-03
C6          3.86E+03
C8          5.24E+05


Properties calculated from interaction potential
a_s  (bohr)     with Jacobian elements      1100.0000         0.0000     -4140.0000     -1230.0000
Propagated uncertainty is    0.6417  bohr
a_t  (bohr)     with Jacobian elements         0.0000      -129.1000      -132.6000        -4.2400
Propagated uncertainty is    0.2184  bohr
a_ha (bohr)     with Jacobian elements     12370.0000     -3281.0000    -46640.0000    -14900.0000
Propagated uncertainty is    1.5810  bohr


Correlation matrix (dimensionless)

                   1                2                3                4
     1  0.100000000E+01
     2 -0.995324034E+00  0.100000000E+01
     3  0.559506007E+00 -0.479092916E+00  0.100000000E+01
     4  0.331142858E+00 -0.418259658E+00 -0.596779904E+00  0.100000000E+01
