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Electronic pair correlation in atoms and molecules
International Journal of Quantum Chemistry, 1987AbstractAccurate methods for computing energies and electronic properties of atoms and molecules have been derived from direct treatment of localized pairs of electrons. The conceptual development and implementation of such methods is reviewed.
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On the Method of Atoms in Molecules
Proceedings of the Physical Society. Section A, 1955The method of atoms in molecules is investigated in detail for the case of covalent-ionic resonance in the ground state of the hydrogen molecule. It is shown that the method is reliable if, and only if, different orbitals are used to approximate atomic and ionic states of the same molecule.
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Structure in Molecules and Atoms
2000TO EXPLAIN WHY PURE SUBSTANCES COMBINE in definite proportions, Dalton about 1807 suggested that each elementary substance is made up of identical atoms and that the atoms of different substances combine in definite ratios to form molecules. The different molecules of a given compound are equivalent.
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Atomic interaction in molecules
Soviet Physics Journal, 1967L. I. Lagutskaya, N. A. Prilezhaeva
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Electrons in Atoms and Molecules
1977All of chemistry can be explained in terms of the behavior of the subatomic particles of which matter is composed. For most purposes, there are two kinds of particles that have to be considered, electrons and nuclei. All electrons are the same, that is, they have the same mass and charge; nuclei are of different kinds, since they can have different ...
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Dynamics of Excitons in Conjugated Molecules and Organic Semiconductor Systems
Chemical Reviews, 2022Oleg Dimitriev
exaly