Let us now check if RealQM readily computes the bond dissociation energy in gaseous phase of the molecule NaH as separation into Na and H atoms, and the lattice dissociation energy in solid phase as separation into Na+ and H- ions.
In stdQM this is viewed to be very difficult, if possible at all, which is not strange because stdQM is uncomputable (as we know). Instead, an empirical Born-Haber cycle is used.
RealQM on the spot produces the following predictions in close agreement with reference values:
Bond dissociation energy = E(Na) + E(H) - E(NaH) = 0.08 Hartree (ref 0.0765) (code)
Lattice dissociation energy = E(Νa+) + E(H-) - E(NaH) = 0.38 Hartree (ref 0.307) (code)
where E(X) indicates ground state energy of X, and in the code examples the distance (2*D in code) between atoms/ions is varied to capture separation while the number of iterations is kept the same for fair comparison.
We see that the energy of a covalent bond without full electron transfer is much smaller than the lattice energy with full electron transfer from Na to H, naturally a consequence of different spatial "filling of electrons" in the sense of RealQM.
In stdQM the mystery is deeper since the spatial presence of electrons is mysterious.
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