Visualization of Orbitals (3) Probability Density Distributionin the Three Dimensional Representationof Hydrogen s Orbitals in a Glass Block
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چکیده
منابع مشابه
Brueckner Orbitals and Density-Functional Theory
By means of Many-Body Perturbation Theory (MBPT) it is shown that minimizing the energy expectation value of a closed-shell system in a certain order of the preturbation expansion by varying the partitioning of the Hamiltonian, leads to a zeroth-order function, which – as the order of perturbation increases and provided the expansion converges properly – approaches a determinant of Brueckner or...
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ژورنال
عنوان ژورنال: Journal of Computer Chemistry, Japan
سال: 2015
ISSN: 1347-1767,1347-3824
DOI: 10.2477/jccj.2015-0018