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physics.atm-clus2022
Degree of atomicity in the chemical bonding: Why to return to the H2 molecule?
Maciej Hendzel, Józef Spałek
We analyze two-particle binding factors for the case of \ch{H2} molecule with the help of our original Exact Diagonalization \textit{Ab Intio} (EDABI) approach. Explicitly, we rede…
cond-mat.str-el2022★ 5 cited
Towards Complementary Characterization of the Chemical Bond
Maciej Hendzel, Maciej Fidrysiak, Józef Spałek
A precise discussion of a single bond requires consideration of two-particle wave function for the particles involved. Here we define and determine rigorously the intrinsic covalen…
cond-mat.str-el2022★ 8 cited
Many-particle covalency, ionicity, and atomicity revisited for a few simple example molecules
M. Hendzel, M. Fidrysiak, J. Spałek
We analyze two-particle binding factors of H2, LiH, and HeH+ molecules/ions with the help of our original exact diagonalization ab intio (EDABI) approach. The interelectronic corre…