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Contains the keyword density functional theory

Yao YX, Wang CZ, Ho KM. The Benchmark of Gutzwiller Density Functional Theory in Hydrogen Systems. Int J Quantum Chem. 2012;112:240-6. Abstract
D'Souza SW, Nayak J, Maniraj M, Rai A, Dhaka RS, Barman SR, et al. Ni2MnGa(100) ferromagnetic shape memory alloy: A surface study. Surf Sci. 2012;606:130-6. Abstract
Shao DH, Liu XJ, Lu N, Wang CZ, Ho KM, Tringides MC, et al. Effect of oxygen on the stability of Ag islands on Si(111)-7 x 7. Surf Sci. 2012;606:1871-8. Abstract
Qin W, Lu WC, Zang QJ, Zhao LZ, Chen GJ, Wang CZ, et al. Geometric structures of Ge-n (n=34-39) clusters. Journal of Chemical Physics. 2010;132:214509. Abstract
Dolotko O, Zhang HQ, Li S, Jena P, Pecharsky V. Mechanochemically driven nonequilibrium processes in MNH2-CaH2 systems (M = Li or Na). J Alloy Compd. 2010;506:224-30. Abstract
Shukla AK, Dhaka RS, D'Souza SW, Singh S, Wu D, Lograsso TA, et al. Quasiperiodic layers of free-electron metals studied using electron diffraction. Physical Review B. 2009;79:134206. Abstract
Zhang W, Lu WC, Zang QJ, Wang CZ, Ho KM. Bulklike structures for medium-sized Al-n (n=31-40) clusters. Journal of Chemical Physics. 2009;130:144701. Abstract
Singh NK, Paudyal D, Mudryk Y, Pecharsky VK, Gschneidner KA. Magnetostructural transition in Ho5Ge4. Physical Review B. 2009;79:094115. Abstract
Kurmaev EZ, McLeod JA, Buling A, Skorikov NA, Moewes A, Neumann M, et al. Contribution of Fe 3d states to the Fermi level of CaFe2As2. Physical Review B. 2009;80:054508. Abstract
Shen MM, Liu DJ, Jenks CJ, Thiel PA, Evans JW. Accelerated coarsening of Ag adatom islands on Ag(111) due to trace amounts of S: Mass-transport mediated by Ag-S complexes. Journal of Chemical Physics. 2009;130:094701. Abstract