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The quantum theory of atoms in positronic molecules: The subsystem variational procedure
International Journal of Quantum Chemistry, 2010AbstractThis contribution deals with the subsystem variational procedure within the context of the quantum theory of atoms in positronic molecules (QTAIPM). Before introducing the subsystem energy functional termed as joint subsystem energy functional, a novel notation and the combination strategy are disclosed in detail by restating the positronic ...
Farnaz Heidar Zadeh, Shant Shahbazian
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Quantum theory of electromagnetic fields interacting with atoms and molecules
Physics Reports, 1973Abstract This paper reviews the recent achievements in nonrelativistic quantum electrodynamics, especially nonlinear and coherent phenomena. The general properties of coupled radiation and matter are presented within simple models in section 1. The following sections treat in some detail three main aspects of the system and can be read independently ...
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Exploring Basic Chemical Concepts with the Quantum Theory of Atoms in Molecules
ChemInform, 2007AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Ricardo A. Mosquera +4 more
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Relativistic Quantum Theory of Atoms and Molecules: Theory and Computation
Physics Today, 2008Relativity in atomic and molecular physics.- Relativity in atomic and molecular physics.- Foundations.- Relativistic wave equations for free particles.- The Dirac Equation.- Quantum electrodynamics.- Computational atomic and molecular structure.- Analysis and approximation of Dirac Hamiltonians.- Complex atoms.- Computation of atomic structures ...
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The Quantum Theory of Atoms in Molecules and the Interactive Conception of Chemical Bonding
Philosophy of Science, 2019Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily reconciled with quantum mechanical models of molecular systems. The quantum theory of atoms in molecules, developed by Richard F. W. Bader and colleagues, seeks to define bonding using a topological analysis of the electron density distribution. The “bond
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Comment on: Revisiting the variational nature of the quantum theory of atoms in molecules
Chemical Physics Letters, 2006Abstract A Letter by Pendas, Blanco and Francisco [A.M. Pendas, M.A. Blanco, E. Francisco, Chem. Phys. Lett. 417 (2006) 16] recently appeared in this journal whose purported purpose was to present ‘A simplified derivation of the variational nature of the real space basins used in the quantum theory of atoms in molecules (QTAIM)…’ The purpose of ...
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Quantum Theory of Atoms and Molecules
Annual Review of Physical Chemistry, 1967A Golebiewski, H S Taylor
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Quantum Theory of Atoms and Molecules
Annual Review of Physical Chemistry, 1964Oktay Sinanoglu, D. Fu-tai Tuan
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Atoms in Molecules — a Quantum Theory
Journal of Molecular Structure: THEOCHEM, 1996openaire +1 more source
The quantum theory of atoms, molecules and photons
Journal of Molecular Structure, 1973openaire +1 more source