We develop a model of molecular binding based on the Bohr-Sommerfeld description of atoms together with a constraint taken from conventional quantum mechanics. The model can describe the binding energy curves of H2, H3 and other molecules with striking accuracy. Our approach treats electrons as point particles with positions determined by extrema of an algebraic energy function. Our constrained model provides a physically appealing, accurate description of multi-electron chemical bonds
We analyze two-particle binding factors of $H_{2}$, $LiH$, and $HEH^{+}$ molecules/ions with the hel...
Chemical bonding is described in terms of the properties of the one-electron density f2 (r) and the ...
The hydrogen molecules $H_{2}$ and $(H_{2})_{2}$ are analyzed with electronic correlations taken int...
It is generally believed that the old quantum theory, as presented by Niels Bohr in 1913, fails when...
We present an intuitive and general analytical approximation estimating the energy of covalent singl...
In this perspective, we review some recent advances in the concept of atoms-in-molecules from a real...
'Alchemical' interpolation paths, i.e. coupling systems along fictitious paths without realistic cor...
A precise discussion of a single bond requires consideration of two-particle wave function for the p...
The Bohr Model for the Hydrogen Atom\u27s electron is discussed in detail, with a recapitulation of ...
In this perspective article, the basic theory and applications of the "Quantum Theory of Atoms in M...
A decomposition of the molecular energy is presented that is motivated by the atom superposition and...
AbstractA new, semiclassical model of atoms and ions is applied to systems with two, three, four, an...
Tesis con mención internacionalThe chemical bond might be considered as the central pillar of chemis...
Accurate representation of the molecular electrostatic potential, which is often expanded in distrib...
Conclusive evidence is presented whlch shows that the concept of modified atoms in molecule (MAM) is...
We analyze two-particle binding factors of $H_{2}$, $LiH$, and $HEH^{+}$ molecules/ions with the hel...
Chemical bonding is described in terms of the properties of the one-electron density f2 (r) and the ...
The hydrogen molecules $H_{2}$ and $(H_{2})_{2}$ are analyzed with electronic correlations taken int...
It is generally believed that the old quantum theory, as presented by Niels Bohr in 1913, fails when...
We present an intuitive and general analytical approximation estimating the energy of covalent singl...
In this perspective, we review some recent advances in the concept of atoms-in-molecules from a real...
'Alchemical' interpolation paths, i.e. coupling systems along fictitious paths without realistic cor...
A precise discussion of a single bond requires consideration of two-particle wave function for the p...
The Bohr Model for the Hydrogen Atom\u27s electron is discussed in detail, with a recapitulation of ...
In this perspective article, the basic theory and applications of the "Quantum Theory of Atoms in M...
A decomposition of the molecular energy is presented that is motivated by the atom superposition and...
AbstractA new, semiclassical model of atoms and ions is applied to systems with two, three, four, an...
Tesis con mención internacionalThe chemical bond might be considered as the central pillar of chemis...
Accurate representation of the molecular electrostatic potential, which is often expanded in distrib...
Conclusive evidence is presented whlch shows that the concept of modified atoms in molecule (MAM) is...
We analyze two-particle binding factors of $H_{2}$, $LiH$, and $HEH^{+}$ molecules/ions with the hel...
Chemical bonding is described in terms of the properties of the one-electron density f2 (r) and the ...
The hydrogen molecules $H_{2}$ and $(H_{2})_{2}$ are analyzed with electronic correlations taken int...