Calculation of Ionization Potentials of Small Molecules: A Comparative Study of Different Methods-Reference-Cited by-同舟云学术

Calculation of Ionization Potentials of Small Molecules: A Comparative Study of Different Methods

Published:2005-08-27 Issue:37 Volume:109 Page:8348-8355
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Lemierre Virginie¹,Chrostowska Anna¹,Dargelos Alain¹,Chermette Henry¹

Affiliation:

1. Laboratoire de Physico-Chimie Moléculaire - UMR 5624 - FR 2606, CNRS - Université de Pau et des Pays de l'Adour, Av. de l'Université, BP 1155, 64013 Pau Cedex, France, and Laboratoire de Chimie Physique Théorique - UMR 5182, Université Claude Bernard Lyon-1, 43, Boulevard du 11 Novembre 1918, 69622 Villeurbanne Cedex, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp050254c

Reference92 articles.

1. Assessment of Density Functional Methods for the Calculation of Ionization Potentials of Unsaturated Molecules

2. Self-Consistent Equations Including Exchange and Correlation Effects

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