dr. Aleš Zupan [12369]

1. PERDEW, John P., ERNZERHOF, Matthias, ZUPAN, Aleš, BURKE, Kieron. Nonlocality of the density functional for exchange and correlation : physical origins and chemical consequences. The Journal of chemical physics. 1998, vol. 108, str. 1522-1531. ISSN 0021-9606. [COBISS.SI-ID 13171239]

2. ZUPAN, Aleš, BLAHA, Peter, SCHWARZ, Karlheinz, PERDW, John P. Pressure-induced phase transition in solid Si, ▫$SiO_2$▫ and Fe : performance of local-spin-density and generalized-gradient-approximation density functionals. Physical review. B, Condensed matter and materials physics. 1998, vol. b, str. 11266-11272. ISSN 1098-0121. [COBISS.SI-ID 13554215]

3. ZUPAN, Aleš, PERDEW, John P., BURKE, Kieron, CAUSÀ, Mauro. Density-gradient analysis for density functional theory : applications to atoms : presented at the Paris DFT'95 Conference. International journal of quantum chemistry. 1997, vol. 61, str. 835-845. ISSN 0020-7608. [COBISS.SI-ID 12871463]

4. ZUPAN, Aleš, BURKE, K., ERNZERHOF, M., PERDEW, J. P. Distributions and averages of electron density parameters: explaining the effects of gradient corrections. The Journal of chemical physics. 1997, 106, str. 10184-10193. ISSN 0021-9606. [COBISS.SI-ID 3838759]

5. TOWLER, M. D., ZUPAN, Aleš, CAUSA, Mauro. Density functional theory in periodic systems using local Gaussian basis sets. Computer physics communications. [Print ed.]. 1996, vol. 98, str. 181-205. ISSN 0010-4655. [COBISS.SI-ID 12140839]

6. ZUPAN, Aleš, CAUSA, Mauro. Density functional LCAO calculations for solids : Comparison among Hartree-Fock, DFT local density approximation, and DFT generalized gradient approximation structural properties. International journal of quantum chemistry. 1995, vol. 56, str. 337-344. ISSN 0020-7608. [COBISS.SI-ID 11674663]

7. CAUSA, Mauro, ZUPAN, Aleš. Density functional LCAO calculation of periodic systems : a posteriori correction of the Hatree-Fock energy of covalent and ionic crystals. Chemical Physics Letters. [Print ed.]. 1994, vol. 220, str. 145-153. ISSN 0009-2614. [COBISS.SI-ID 9069863]

8. CAUSA, Mauro, ZUPAN, Aleš. Density-functional LCAO calculations for solids : comparison between Hartree-Fock and Kohn-Sham structural properties. International journal of quantum chemistry. 1994, vol. s28, str. 633-644. ISSN 0020-7608. [COBISS.SI-ID 9817127]

9. ŠUPUT, Dušan, ZUPAN, Anton, SEPE, Ana, DEMŠAR, Franci. Magnetic resonance imaging of muscular dystrophies and neuropathies. Basic and applied myology. 1992, vol. 2, no. 4, str. 285-289, ilustr. ISSN 1120-9992. [COBISS.SI-ID 5968423]