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Application of the two-body density matrix of the ground state for calculations of some excited states

✍ Scribed by M. Rosina

Publisher
John Wiley and Sons
Year
1978
Tongue
English
Weight
246 KB
Volume
13
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

It is pointed out that the density matrices of the ground state contain valuable information concerning the calculation of particle‐hole excited states. As an illustration, results on the nuclei ^16^O, ^20^Ne, and ^28^Si are presented, using small model spaces.

πŸ“œ SIMILAR VOLUMES

Density functional calculations with con
Density functional calculations with configuration interaction for the excited states of molecules
✍ Stefan Grimme πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 710 KB

Configuration interaction (CI) calculations restricted to single excitations with respect to a closed-shell ground state determinant have been performed using modified CI-Hamiltonian matrix elements. Shifted molecular-orbital (MO) eigenvalues from Kohn-Sham density functional theory (DVI') are used