Decomposition of Deformation Density into Orbital Components

Pakiari, A.H and Fakhraee, S and Azami, S.M (2008) Decomposition of Deformation Density into Orbital Components. In: 11th Iranian Physical Chemistry Seminar-July 2008.

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Abstract

The natural orbital picture provided by diagonalization of density matrix is one of the most used methods in the analysis of inter-orbital interactions. The natural orbitals provide optimal orbitals with respect to the convergence of first-order reduced density expansion (Eq. 1). q = ∑n | 0 |2

Item Type: Conference or Workshop Item (Poster)
Persian Title: Decomposition of Deformation Density into Orbital Components
Persian Abstract: -
Subjects: Divisions > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Divisions: Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Subjects > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Date Deposited: 15 Jun 2019 07:33
Last Modified: 15 Jun 2019 07:33
URI: http://repository.uma.ac.ir/id/eprint/6702

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