Table 1 Ground state energy of LiH and BeO, and their positronic complexes, obtained via various computational methods at equilibrium bond-length

From: Neural network variational Monte Carlo for positronic chemistry

 

LiH

BeO

Method

Bare

Positronic

Binding energy

Bare

Positronic

Binding energy

FermiNet-VMC

−8.07051(1)

-8.10775(1)

0.03723(2)

−89.90572(4)

−89.93082(3)

0.02510(7)

SJ-VMC

−8.06307(3)36

−8.08034(4)36

0.01727(7)

−89.3173(25)32

−89.3365(13)32

0.0192(38)

SJ-FN-DMC

−8.070045(38)36

−8.10718(11)36

0.03714(15)

−89.7854(13)32

−89.8134(12)32

0.02800(25)

CISD

−8.0383025

−8.0553025

0.017

–

–

–

MRD-CI

−8.0682727

−8.0976427

0.02937

−89.75935229

-89.77313329

0.013781

ECG-SVM

−8.0705423

−8.1074723

0.03693

–

–

–

Hofierka et al.47

–

–

0.039(1)*47

–

–

–

  1. Theoretical (not statistical) uncertainty estimated from the comparison between different levels of theory as described by Hofierka et al., caption of Table I.
  2. Statistical errors are omitted where they are smaller than the reported precision or otherwise omitted in the referenced source. The lowest variational energy in each column is bolded.
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