Correlation of bond orders and softnesses

Autor: Ángyán, J.G. ^*

Publikováno v: In Journal of Molecular Structure: THEOCHEM 28 April 2000 501-502:379-388

London dispersion forces by range separated hybrid density functional with second order perturbational corrections (RSH+MP2): the case of rare gas complexes

Autor: Gerber, I.C., ÁngyÁn, J.G.

Publikováno v: Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2007, pp.044103

International audience

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::994ca847af7ef12444acba28684a3758
https://hal.archives-ouvertes.fr/hal-00207473

DFT description of van der Waals forces with explicit long-range interactions

Autor: Ángyán, J.G., Gerber, I.C., Savin, A., Toulouse, J.

Publikováno v: CECAM Workshop: van der Waals Forces in Density Functional Theory
CECAM Workshop: van der Waals Forces in Density Functional Theory, 2005, Lyon, France
GdR-DFT 2005: Fonctionnelle de la Densité. De la Molécule aux Matériaux et Système Complexes
GdR-DFT 2005: Fonctionnelle de la Densité. De la Molécule aux Matériaux et Système Complexes, 2005, Cap d'Agde, France

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::08acc19764532570666acb19a86c3010
https://hal.archives-ouvertes.fr/hal-00089632

Potential curves for alkaline-earth dimers by density functional theory with long-range correlation corrections

Autor: Gerber, I.C., Ángyán, J.G.

Publikováno v: Chemical Physics Letters
Chemical Physics Letters, Elsevier, 2005, 416, pp.310-315

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::12214f0d56ea890e27852607cf7f1b49
https://hal.archives-ouvertes.fr/hal-00089570

DFT description of van der Waals forces with explicit long-range interactions

Autor: Gerber, I.C., Ángyán, J.G.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______166::31e997c37923094c88e61c2feafaf894
https://hal.archives-ouvertes.fr/hal-00089937