Titlebook: Electronic Structure of Quantum Confined Atoms and Molecules; K.D. Sen Book 2014 Springer International Publishing Switzerland 2014 Densit

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Symmetry Reduction and Energy Levels Splitting of the One-Electron Atom in an Impenetrable Cavity,ome vertexes. In particular the continuous modifications of the cavity to the other ones are considered. To some extent this problem is similar to that one of the Crystal Field Theory, but the effects of the point charges and impenetrable boundaries are essentially different, just as the resulting l

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Confined Quantum Systems Using the Finite Element and Discrete Variable Representation Methods,s in the liquid helium or neutral plasma; in semiconductors structures in the mesoscopic-scale, as artificial atoms and molecules, or quantum dots; in atoms under pressure that are important for the agreement of the interior of planets, among others. Thus, different theoretical and computational met

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Spatial and Shell-Confined One Electron Atomic and Molecular Systems: Structure and Dipole Polarizarious cases : two center, nearly one center and off-center descriptions. Under the spatial confinement, the electronic curves of the excited states of . which are normally repulsive are bent such as to be transformed into wells, and this modifies the spectroscopy of this system. As well, within a ca

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Density Functional Theory Applied on Confined Many-Electron Atoms,ferences, for the correlation energy, between the correlation functionals used and a wave function obtained by a Hylleraas wave functions expansion for two-electron system. Thus, we pointed out some relevant issues that must be addressed in the near future by the Kohn-Sham method applied to confined

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Study of Quantum Confinement of , Ion and H, Molecule with Monte Carlo. Respective Role of the Elecment. The present study reveals that a metastable bound state of these molecular systems, above the energy corresponding to the dissociation limit, can be obtained when the electron constrain is present. Expectation values of the internuclear distance and the mean electron to nuclear center of mass

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