XXXV. The Gyroscopic theory of atoms and molecules
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چکیده
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We place the Thomas-Fermi-von Weizsacker model of atoms on a firm mathematical footing. We prove existence and uniqueness of solutions of the Thomas-Fermi-von Weizsacker equation as well as the fact that they minimize the Thomas-Fermi-von Weizsacker energy functional. Moreover, we prove the existence of binding for two very dissimilar atoms in the frame of this model. Introduction The Thomas-Fe...
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We place the Thomas-Fermi model of the quantum theory of atoms, molecules, and solids on a firm mathematical footing. Our results include: (1) A proof of existence and uniqueness of solutions of the nonlinear Thomas-Fermi equations as well as the fact that these solutions minimize the Thomas-Fermi energy functional, (2) a proof that in a suitable large nuclear charge limit, the quantum mechanic...
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In the assessment of density functional approximations for the exchangecorrelation energy, great weight is usually given to the accuracy of molecular atomization energies, or the enthalpies of formation constructed from calculated atomization energies. Here we show that a recent non-empirical functional, the meta-generalized gradient approximation of Tao, Perdew, Staroverov, and Scuseria, achie...
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ژورنال
عنوان ژورنال: The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science
سال: 1915
ISSN: 1941-5982,1941-5990
DOI: 10.1080/14786440208635310