Tortajada, L; Besteiro, L V; Tiago, M L; Gallego, L J; Chelikowsky, J R; Alemany, M M G Multidimensional nanoscale materials from fused quantum dots (Journal Article) In: Phys. Rev. B, vol. 84, pp. 205326, 2011. @article{TB11b,
title = {Multidimensional nanoscale materials from fused quantum dots},
author = {L Tortajada and L V Besteiro and M L Tiago and L J Gallego and J R Chelikowsky and M M G Alemany},
year = {2011},
date = {2011-01-01},
journal = {Phys. Rev. B},
volume = {84},
pages = {205326},
keywords = {},
pubstate = {published},
tppubtype = {article}
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Chelikowsky, J R; Chan, T L; Alemany, M M G; Dalpian, G Computational studies of doped nanostructures (Journal Article) In: Rep. Prog. Phys., vol. 74, pp. 046501, 2011. @article{CC11ab,
title = {Computational studies of doped nanostructures},
author = {J R Chelikowsky and T L Chan and M M G Alemany and G Dalpian},
year = {2011},
date = {2011-01-01},
journal = {Rep. Prog. Phys.},
volume = {74},
pages = {046501},
keywords = {},
pubstate = {published},
tppubtype = {article}
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Besteiro, L V; Tortajada, L; Tiago, M L; Gallego, L J; Chelikowsky, J R; Alemany, M M G Efficient n-type doping of zinc-blende III-V semiconductor quantum dots (Journal Article) In: Phys. Rev. B, vol. 81, pp. 121307, 2010. @article{BT10b,
title = {Efficient n-type doping of zinc-blende III-V semiconductor quantum dots},
author = {L V Besteiro and L Tortajada and M L Tiago and L J Gallego and J R Chelikowsky and M M G Alemany},
year = {2010},
date = {2010-01-01},
journal = {Phys. Rev. B},
volume = {81},
pages = {121307},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
del Puerto, Lopez M; Jain, M; Chelikowsky, J R Time-dependent density functional theory calculation of the Stokes shift in hydrogenated silicon clusters (Journal Article) In: Phys. Rev. B, vol. 81, pp. 035309, 2010. @article{PJ10b,
title = {Time-dependent density functional theory calculation of the Stokes shift in hydrogenated silicon clusters},
author = {Lopez M del Puerto and M Jain and J R Chelikowsky},
year = {2010},
date = {2010-01-01},
journal = {Phys. Rev. B},
volume = {81},
pages = {035309},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Eom, J -H; Chan, T -L; Chelikowsky, J R The role of vacancies on B doping in Si nanocrystals (Journal Article) In: Solid State Commun, vol. 150, pp. 130, 2010. @article{EC10b,
title = {The role of vacancies on B doping in Si nanocrystals},
author = {J -H Eom and T -L Chan and J R Chelikowsky},
year = {2010},
date = {2010-01-01},
journal = {Solid State Commun},
volume = {150},
pages = {130},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Chan, T L; Chelikowsky, J R Controlling diffusion in semiconductor nanostructures by size and dimensionality (Journal Article) In: Nano Letters, vol. 10, pp. 821, 2010. @article{CC10b,
title = {Controlling diffusion in semiconductor nanostructures by size and dimensionality},
author = {T L Chan and J R Chelikowsky},
year = {2010},
date = {2010-01-01},
journal = {Nano Letters},
volume = {10},
pages = {821},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Saad, Y; Chelikowsky, J R; Shontz, S Numerical Methods for Electronic Structure Calculations of Materials (Journal Article) In: SIAM Review, vol. 52, pp. 3, 2010. @article{SC10c,
title = {Numerical Methods for Electronic Structure Calculations of Materials},
author = {Y Saad and J R Chelikowsky and S Shontz},
year = {2010},
date = {2010-01-01},
journal = {SIAM Review},
volume = {52},
pages = {3},
keywords = {},
pubstate = {published},
tppubtype = {article}
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Han, J; Chan, T -L; Chelikowsky, J R Quantum confinement, core level shifts, and dopant segregation in P-doped Si <110> nanowires (Journal Article) In: Phys. Rev. B, vol. 82, pp. 153413, 2010. @article{HC10b,
title = {Quantum confinement, core level shifts, and dopant segregation in P-doped Si <110> nanowires},
author = {J Han and T -L Chan and J R Chelikowsky},
year = {2010},
date = {2010-01-01},
journal = {Phys. Rev. B},
volume = {82},
pages = {153413},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Vasliev, I; Chelikowsky, J R Real-space calculations of atomic and molecular polarizabilities using asymptotically correct exchange-correlation potentials (Journal Article) In: Phys. Rev. A, vol. 81, pp. 125502, 2010. @article{VC10b,
title = {Real-space calculations of atomic and molecular polarizabilities using asymptotically correct exchange-correlation potentials},
author = {I Vasliev and J R Chelikowsky},
year = {2010},
date = {2010-01-01},
journal = {Phys. Rev. A},
volume = {81},
pages = {125502},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Frey, K; Idrobo, J C; Tiago, M L; Reboredo, F.; g ü, S Öu Quasiparticle gaps and exciton Coulomb energies in Si nanoshells: First-principles calculations (Journal Article) In: Physical Review B, vol. 80, pp. 153411, 2009. @article{FI09b,
title = {Quasiparticle gaps and exciton Coulomb energies in Si nanoshells: First-principles calculations},
author = {K Frey and J C Idrobo and M L Tiago and F. Reboredo and S Ö{u g} ü},
doi = {doi:10.1103/PhysRevB.80.153411},
year = {2009},
date = {2009-01-01},
journal = {Physical Review B},
volume = {80},
pages = {153411},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Tiago, M L; Reboredo, F A Controlling the gap of fullerene microcrystals by applying pressure: Role of many-body effects (Journal Article) In: Physical Review B, vol. 79, pp. 195410, 2009. @article{TR09,
title = {Controlling the gap of fullerene microcrystals by applying pressure: Role of many-body effects},
author = {M L Tiago and F A Reboredo},
year = {2009},
date = {2009-01-01},
journal = {Physical Review B},
volume = {79},
pages = {195410},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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Tiago, M L; Idrobo, J C; Ogut, S; Jellinek, J; Chelikowsky, J. R. Electronic and Optical Excitations in Ag$_n$ (n=1-8) Clusters: Comparison of Density Functional and Many-Body Theories (Journal Article) In: Physical Review B, vol. 79, pp. 155419, 2009. @article{TI09b,
title = {Electronic and Optical Excitations in Ag$_n$ (n=1-8) Clusters: Comparison of Density Functional and Many-Body Theories },
author = {M L Tiago and J C Idrobo and S Ogut and J Jellinek and J. R. Chelikowsky},
year = {2009},
date = {2009-01-01},
journal = {Physical Review B},
volume = {79},
pages = {155419},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Makmal, A; Armiento, R; Engel, E; Kronik, L.; Kummel, S Examining the Role of Pseudopotentials in Exact-Exchange-Based Kohn-Sham Gaps (Journal Article) In: Phys. Rev. B. (Rapid Comm.), vol. 80, pp. 161204, 2009. @article{MA09b,
title = {Examining the Role of Pseudopotentials in Exact-Exchange-Based Kohn-Sham Gaps},
author = {A Makmal and R Armiento and E Engel and L. Kronik and S Kummel},
year = {2009},
date = {2009-01-01},
journal = {Phys. Rev. B. (Rapid Comm.)},
volume = {80},
pages = {161204},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Chelikowsky, J R; Saad, Y; Chan, T. -L.; Tiago, M L; Zayak, A T; Zhou, Y Pseudopotentials on Grids: Application to the Electronic, Optical, and Vibrational Properties of Silicon Nanocrystals (Journal Article) In: Journal of Computational and Theoretical Nanoscience, vol. 6, pp. 1247-1261, 2009. @article{JC09b,
title = {Pseudopotentials on Grids: Application to the Electronic, Optical, and Vibrational Properties of Silicon Nanocrystals},
author = {J R Chelikowsky and Y Saad and T.-L. Chan and M L Tiago and A T Zayak and Y Zhou},
year = {2009},
date = {2009-01-01},
journal = {Journal of Computational and Theoretical Nanoscience},
volume = {6},
pages = {1247-1261},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Frey, K; Idrobo, J C; Tiago, M L; Reboredo, F; Ogut, S Quasiparticle gaps and exciton Coulomb energies in Si nanoshells: First-principles calculations (Journal Article) In: Physical Review B, vol. 80, pp. 153411, 2009. @article{FI09c,
title = {Quasiparticle gaps and exciton Coulomb energies in Si nanoshells: First-principles calculations},
author = {K Frey and J C Idrobo and M L Tiago and F Reboredo and S Ogut},
year = {2009},
date = {2009-01-01},
journal = {Physical Review B},
volume = {80},
pages = {153411},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Chelikowsky, J R; Zayak, A T; Chan, T -L; Tiago, M L; Zhou, Y; Saad, Y Algorithms for the Electronic and Vibrational Properties of Nanocrystals (Journal Article) In: J. Phys. Cond. Matter, vol. 21, pp. 064207, 2009. @article{CZ09bb,
title = {Algorithms for the Electronic and Vibrational Properties of Nanocrystals},
author = {J R Chelikowsky and A T Zayak and T -L Chan and M L Tiago and Y Zhou and Y Saad},
year = {2009},
date = {2009-01-01},
journal = {J. Phys. Cond. Matter},
volume = {21},
pages = {064207},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Chan, T -L; Zayak, A T; Dalpian, G M; Chelikowsky, J R Role of Confinement on Diffusion Barriers in Semiconductor Nanocrystals (Journal Article) In: Phys. Rev. Lett., vol. 102, pp. 025901, 2009. @article{CZ09ab,
title = {Role of Confinement on Diffusion Barriers in Semiconductor Nanocrystals},
author = {T -L Chan and A T Zayak and G M Dalpian and J R Chelikowsky},
year = {2009},
date = {2009-01-01},
journal = {Phys. Rev. Lett.},
volume = {102},
pages = {025901},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Khoo, K H; Chelikowsky, J R Theoretical Study of Electron Transport across Carbon Nanotube Junctions Decorated with Au Nanoparticles (Journal Article) In: Phys. Rev. B, vol. 79, pp. 205422, 2009. @article{KC09bb,
title = {Theoretical Study of Electron Transport across Carbon Nanotube Junctions Decorated with Au Nanoparticles},
author = {K H Khoo and J R Chelikowsky},
year = {2009},
date = {2009-01-01},
journal = {Phys. Rev. B},
volume = {79},
pages = {205422},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Kwak, H; Chelikowsky, J R Size-dependent Spin-polarization of Carbon-doped ZnO Nanocrystals (Journal Article) In: Applied Phys. Lett., vol. 95, pp. 263108, 2009. @article{KC09ab,
title = {Size-dependent Spin-polarization of Carbon-doped ZnO Nanocrystals},
author = {H Kwak and J R Chelikowsky},
year = {2009},
date = {2009-01-01},
journal = {Applied Phys. Lett.},
volume = {95},
pages = {263108},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Naveh, D; Kronik, L Real-Space Pseudopotential method for Noncollinear Magnetism within Density Functional Theory (Journal Article) In: Solid State Comm., vol. 149, pp. 177, 2009. @article{NK09b,
title = {Real-Space Pseudopotential method for Noncollinear Magnetism within Density Functional Theory},
author = {D Naveh and L Kronik},
year = {2009},
date = {2009-01-01},
journal = {Solid State Comm.},
volume = {149},
pages = {177},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
