Table 2 2γ annihilation rates for positronic atoms and molecules accumulated with FermiNet wavefunctions, compared with those obtained via various other computational methods

From: Neural network variational Monte Carlo for positronic chemistry

 

2γ annihilation rate [ns−1]

Method

HPs

[Na+, Ps]

[Mg, e+]

[LiH, e+]

[BeO, e+]

[Li2, e+]

[Benzene, e+]

CI

2.018326

1.00099128

0.8947a31

FN-DMC

2.3233

1.3602a34

ECG-SVM

2.436116, 2.472217, 2.468519

1.89820

0.95522, 1.024928

1.37523

Hofierka et al.47

2.083

0.666

FermiNet-VMC

2.440(1)

1.870(1)

1.076(1)

1.3391(7)

0.9533(8)

1.962(2)

0.5247(6)

  1. aContact density at equilibrium bond length of 3.348 bohr obtained by quadratic interpolation of three values around the minimum in the potential energy surface.
  2. Statistical errors are omitted where they are smaller than the reported precision, or otherwise omitted in the referenced source. ECG results for all species besides HPs utilize the fixed-core approximation.