Semi-empirical calculation on core ionizations and simultaneous excitations by use of the π-electron and equivalent core approximations. The theoretical foundations of the method and the application to some π-conjugated molecules-Reference-Cited by-同舟云学术

Semi-empirical calculation on core ionizations and simultaneous excitations by use of the π-electron and equivalent core approximations. The theoretical foundations of the method and the application to some π-conjugated molecules

Published:1981-10 Issue:3 Volume:61 Page:431-442
ISSN:0301-0104
Container-title:Chemical Physics
language:en
Short-container-title:Chemical Physics

Author:

Kosugi Nobuhiro,Kuroda Haruo

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference26 articles.

1. Localized and Delocalized 1s Hole States of the O 2 + Molecular Ion

2. Core‐Electron Binding Energies and Slater Atomic Shielding Constants

3. Orbital and excitonic descriptions of molecular excited and ionized states

4. Delocalized and localized pictures of excited and ionized states

5. Localized and delocalized core holes and their interrelation

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