کد مقاله کد نشریه سال انتشار مقاله انگلیسی ترجمه فارسی نسخه تمام متن
5372814 1389205 2017 3 صفحه PDF ندارد دانلود رایگان
عنوان انگلیسی مقاله
Derivation of the one electron orbital which is associated with the best separable function of a given many electron reference state
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Derivation of the one electron orbital which is associated with the best separable function of a given many electron reference state
چکیده انگلیسی

An N-electron wavefunction Ψ is given. We wish to find out what is the best separable approximation Φ of Ψ, taking the form of an antisymmetrized product of a one electron function ϕ and an N-1 electron function χ. The best separable approximation Φ of this kind is the one that has the largest overlap with the N-electron reference state Ψ. We prove that Φ is the leading order term in the natural series expansion of Ψ. This conclusion may be relevant to an interpretation of tomographic imaging experiments based upon harmonic generation, where the best separable single electron wavefunction ϕ can be used to approximate the measured single electron probability density.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 482, 12 January 2017, Pages 384-386
نویسندگان
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