Graphing Orbitals in Three Dimensions with Rotatable Density Plots
نویسندگان
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 Chemical Education
سال: 2007
ISSN: 0021-9584,1938-1328
DOI: 10.1021/ed084p1887.2