Application of the local self-consistent-field method to core-ionized and core-excited molecules, polymers, and proteins: True orthogonality between ground and excited states-Reference-Cited by-同舟云学术

Application of the local self-consistent-field method to core-ionized and core-excited molecules, polymers, and proteins: True orthogonality between ground and excited states

Published:2002-09 Issue:9 Volume:117 Page:4119-4125
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ferré Nicolas,Assfeld Xavier

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1496462

Reference50 articles.

1. An SCF technique for excited states

2. Quantum chemical computations on parts of large molecules: the ab initio local self consistent field method

3. Specific force field parameters determination for the hybridab initioQM/MM LSCF method

4. Multireference configuration interaction calculations of the vertical K-shell excitation spectrum of di-fluoro-silane

5. Multiconfiguration self-consistent-fieldab initioand local-density-functional studies on the vibrational structure of core-level photoelectron spectra ofSiH4andGeH4

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