Goedecker S - Search Results

1

Energy landscape of fullerene materials: a comparison of boron to boron nitride and carbon.

De S, Willand A, Amsler M, Pochet P, Genovese L, Goedecker S. De S, et al. Among authors: goedecker s. Phys Rev Lett. 2011 Jun 3;106(22):225502. doi: 10.1103/PhysRevLett.106.225502. Epub 2011 Jun 1. Phys Rev Lett. 2011. PMID: 21702613

2

Global minimum determination of the Born-Oppenheimer surface within density functional theory.

Goedecker S, Hellmann W, Lenosky T. Goedecker S, et al. Phys Rev Lett. 2005 Jul 29;95(5):055501. doi: 10.1103/PhysRevLett.95.055501. Epub 2005 Jul 29. Phys Rev Lett. 2005. PMID: 16090887

3

Efficient and accurate three-dimensional Poisson solver for surface problems.

Genovese L, Deutsch T, Goedecker S. Genovese L, et al. Among authors: goedecker s. J Chem Phys. 2007 Aug 7;127(5):054704. doi: 10.1063/1.2754685. J Chem Phys. 2007. PMID: 17688354

4

Daubechies wavelets as a basis set for density functional pseudopotential calculations.

Genovese L, Neelov A, Goedecker S, Deutsch T, Ghasemi SA, Willand A, Caliste D, Zilberberg O, Rayson M, Bergman A, Schneider R. Genovese L, et al. Among authors: goedecker s. J Chem Phys. 2008 Jul 7;129(1):014109. doi: 10.1063/1.2949547. J Chem Phys. 2008. PMID: 18624472

5

Ubiquitous mechanisms of energy dissipation in noncontact atomic force microscopy.

Ghasemi SA, Goedecker S, Baratoff A, Lenosky T, Meyer E, Hug HJ. Ghasemi SA, et al. Among authors: goedecker s. Phys Rev Lett. 2008 Jun 13;100(23):236106. doi: 10.1103/PhysRevLett.100.236106. Epub 2008 Jun 13. Phys Rev Lett. 2008. PMID: 18643523

6

Adsorption of small NaCl clusters on surfaces of silicon nanostructures.

Amsler M, Alireza Ghasemi S, Goedecker S, Neelov A, Genovese L. Amsler M, et al. Among authors: goedecker s. Nanotechnology. 2009 Nov 4;20(44):445301. doi: 10.1088/0957-4484/20/44/445301. Epub 2009 Oct 5. Nanotechnology. 2009. PMID: 19801776

7

Crystal structure prediction using the minima hopping method.

Amsler M, Goedecker S. Amsler M, et al. Among authors: goedecker s. J Chem Phys. 2010 Dec 14;133(22):224104. doi: 10.1063/1.3512900. J Chem Phys. 2010. PMID: 21171680

8

The effect of ionization on the global minima of small and medium sized silicon and magnesium clusters.

De S, Ghasemi SA, Willand A, Genovese L, Kanhere D, Goedecker S. De S, et al. Among authors: goedecker s. J Chem Phys. 2011 Mar 28;134(12):124302. doi: 10.1063/1.3569564. J Chem Phys. 2011. PMID: 21456657

9

Growth and structural properties of Mg(N) (N = 10-56) clusters: density functional theory study.

Heidari I, De S, Ghazi SM, Goedecker S, Kanhere DG. Heidari I, et al. Among authors: goedecker s. J Phys Chem A. 2011 Nov 10;115(44):12307-14. doi: 10.1021/jp204442e. Epub 2011 Oct 18. J Phys Chem A. 2011. PMID: 21936511

10

Density functional investigations on structural and electronic properties of anionic and neutral sodium clusters Na(N) (N = 40-147): comparison with the experimental photoelectron spectra.

Ghazi SM, De S, Kanhere DG, Goedecker S. Ghazi SM, et al. Among authors: goedecker s. J Phys Condens Matter. 2011 Oct 12;23(40):405303. doi: 10.1088/0953-8984/23/40/405303. Epub 2011 Sep 22. J Phys Condens Matter. 2011. PMID: 21937791

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