Browsing by Subject Density functional theory
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| Issue Date | Title | Author(s) |
|---|---|---|
| 1999 | Ab initio study of the magnetic interactions in the spin-ladder compound SrCu2O3 | Graaf, Coen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L. |
| 2008 | Absorption spectrum of Ca atoms attached to 4He nanodroplets | Hernando, Alberto; Barranco Gómez, Manuel; Mayol Sánchez, Ricardo; Pi Pericay, Martí; Krosnicki, Marek |
| 2007 | Addition energies and density dipole response of quantum rings under the influence of in-plane electric fields | Malet i Giralt, Francesc; Pi Pericay, Martí; Barranco Gómez, Manuel; Serra, Llorenç; Lipparini, Enrico |
| 2002 | Adsoption-induced restructuring of gold nanochains | Bahn, S. R.; López, Núria (López Alonso); Norskov, J. K.; Jacobsen, K. W. |
| 1997 | Antiferromagnetic exchange interactions from hybrid density functional theory | Martin, Richard L.; Illas i Riera, Francesc |
| 1994 | Barrier for the reaction X20+ + X20+ -> X402+ in alkali-metal clusters related to electron density at the bond midpoint of the supermolecule (X20+)2 | López Rodríguez, José Manuel; Alonso, J. A. (Julio A.), 1948-; March, Norman H. (Norman Henry), 1927-; Garcias, Francisca; Barranco Gómez, Manuel |
| 1995 | Cavitation in 3He-4He liquid mixtures at low temperatures | Guilleumas, Montserrat; Jezek, Dora M.; Pi Pericay, Martí; Barranco Gómez, Manuel; Navarro Faus, Jesús |
| Jul-2020 | CO Stability on hcp Metals | Vázquez Parga, David |
| Jun-2020 | Computer assisted design of new [CrII(R-indenyl)2] molecules with Spin-crossover properties | Rodríguez Barba, Fileto |
| 2006 | Condensation of helium in nanoscopic alkali wedges at zero temperature | Hernández, E. Susana; Ancilotto, Francesco; Barranco Gómez, Manuel; Mayol Sánchez, Ricardo; Pi Pericay, Martí |
| 1991 | Coulomb barriers in the dissociation of doubly charged clusters | Garcias, Francisca; Alonso, J. A. (Julio A.), 1948-; López Rodríguez, José Manuel; Barranco Gómez, Manuel |
| 1995 | Deformed-jellium model for the fission of multiply charged metal clusters | Garcias, Francisca; Mañanes, A.; López Rodríguez, José Manuel; Alonso, J. A. (Julio A.), 1948-; Barranco Gómez, Manuel |
| 1995 | Delocalization and fragmentation of collective modes in doped 4He drops | Hernández, E. Susana; Barranco Gómez, Manuel |
| 2005 | Density functional study of two-dimensional 4He clusters | Mur Petit, Jordi; Sarsa, A.; Navarro Faus, Jesús; Polls Martí, Artur |
| 2008 | Density functional theory of the structure of magnesium-doped helium nanodroplets | Hernando, Alberto; Barranco Gómez, Manuel; Mayol Sánchez, Ricardo; Pi Pericay, Martí; Ancilotto, Francesco |
| 2006 | Density matrix functional theory that includes pairing correlations | Krewald, S.; Soubbotin, V. B.; Tselyaev, V. I.; Viñas Gausí, Xavier |
| 2004 | Density modes in spherical 4He shells | Barranco Gómez, Manuel; Hernández, E. Susana; Mayol Sánchez, Ricardo; Pi Pericay, Martí |
| 1999 | Density-functional calculations of magnetoplasmons in quantum rings | Emperador, Agustí; Barranco Gómez, Manuel; Lipparini, Enrico; Pi Pericay, Martí; Serra, Llorenç |
| Jan-2021 | DFT Accuracy on Bulk Transition Metals Properties | Fernández Martínez, Andrea |
| 2007 | Effective mass and dielectric constant mismatch effects in spherical multishell quantum dots | Royo, Miguel; Planelles, Josep (Planelles Fuster); Pi Pericay, Martí |