Table 1 Physical properties of the hydrogen lattice as obtained by different methods

From: Simple Fermionic backflow states via a systematically improvable tensor decomposition

Method

De(eV)

re (Å)

we(cm−1)

wexe(cm−1)

UCCSD

0.163

1.225

2177.988

9.007

DMRG

0.031

1.223

1900.038

36.409

ΨCPD

0.029

1.219

1928.083

39.672

ΨCPD(K = 5)

0.028

1.229

1865.462

38.586

\({\Psi }^{{{{{\rm{GPS}}}}}}\times \left\vert \Phi \right\rangle\)

0.029

1.237

1748.939

33.247

  1. Dissociation energy (De), equilibrium bond length (re), harmonic (ωe) and anharmonic (ωeχe) frequencies in wavenumbers for the 6 × 6 hydrogen lattice obtained by fitting a Morse potential to data from different quantum chemistry and variational methods described in this work.
Back to article page