96 entries « 3 of 5 »

Saad, Y; Chelikowsky, J R; Shontz, S

Numerical Methods for Electronic Structure Calculations of Materials (Journal Article)

SIAM Review, 52 , pp. 3, 2010.

(BibTeX)

Han, J; Chan, T -L; Chelikowsky, J R

Quantum confinement, core level shifts, and dopant segregation in P-doped Si <110> nanowires (Journal Article)

Phys. Rev. B, 82 , pp. 153413, 2010.

(BibTeX)

Vasliev, I; Chelikowsky, J R

Real-space calculations of atomic and molecular polarizabilities using asymptotically correct exchange-correlation potentials (Journal Article)

Phys. Rev. A, 81 , pp. 125502, 2010.

(BibTeX)

Frey, K; Idrobo, J C; Tiago, M L; Reboredo, F; u g, S Ö

Quasiparticle gaps and exciton Coulomb energies in Si nanoshells: First-principles calculations (Journal Article)

Physical Review B, 80 , pp. 153411, 2009.

(Links | BibTeX)

Tiago, M L; Reboredo, F A

Controlling the gap of fullerene microcrystals by applying pressure: Role of many-body effects (Journal Article)

Physical Review B, 79 , pp. 195410, 2009.

(BibTeX)

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)

Physical Review B, 79 , pp. 155419, 2009.

(BibTeX)

Makmal, A; Armiento, R; Engel, E; Kronik, L; Kummel, S

Examining the Role of Pseudopotentials in Exact-Exchange-Based Kohn-Sham Gaps (Journal Article)

Phys. Rev. B. (Rapid Comm.), 80 , pp. 161204, 2009.

(BibTeX)

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)

Journal of Computational and Theoretical Nanoscience, 6 , pp. 1247-1261, 2009.

(BibTeX)

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)

Physical Review B, 80 , pp. 153411, 2009.

(BibTeX)

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)

J. Phys. Cond. Matter, 21 , pp. 064207, 2009.

(BibTeX)

Chan, T -L; Zayak, A T; Dalpian, G M; Chelikowsky, J R

Role of Confinement on Diffusion Barriers in Semiconductor Nanocrystals (Journal Article)

Phys. Rev. Lett., 102 , pp. 025901, 2009.

(BibTeX)

Khoo, K H; Chelikowsky, J R

Theoretical Study of Electron Transport across Carbon Nanotube Junctions Decorated with Au Nanoparticles (Journal Article)

Phys. Rev. B, 79 , pp. 205422, 2009.

(BibTeX)

Kwak, H; Chelikowsky, J R

Size-dependent Spin-polarization of Carbon-doped ZnO Nanocrystals (Journal Article)

Applied Phys. Lett., 95 , pp. 263108, 2009.

(BibTeX)

Naveh, D; Kronik, L

Real-Space Pseudopotential method for Noncollinear Magnetism within Density Functional Theory (Journal Article)

Solid State Comm., 149 , pp. 177, 2009.

(BibTeX)

Tiago, M L; Kent, P R C; Hood, R Q; Reboredo, F A

Neutral and charged excitations in carbon fullerenes from first-principles many-body theories (Journal Article)

The Journal of Chemical Physics, 129 , pp. 084311, 2008.

(BibTeX)

Sai, N; Tiago, M L; Chelikowsky, J R; Reboredo, F A

Optical spectra and exchange-correlation effects in molecular crystals (Journal Article)

Physical Review B, 77 , pp. 161306, 2008.

(BibTeX)

del Puerto, Lopez M; Tiago, M L; Chelikowsky, J R

Ab initio methods for the optical properties of CdSe clusters (Journal Article)

Physical Review B, 77 , pp. 045404, 2008.

(BibTeX)

Han, J; Tiago, M L; Chan, T -L; Chelikowsky, J R

Real-Space First-Principles Method for the Electronic Structure of One Dimensional Periodic Systems (Journal Article)

J. Chem. Phys., 129 , pp. 144109, 2008.

(BibTeX)

Natan, A; Mor, A; Naveh, D; Kronik, L; Tiago, M L; Beckman, S P; Chelikowsky, J R

Real-space pseudopotential method for first principles calculations of general periodic and partially periodic systems (Journal Article)

Phys. Rev. B, 78 , pp. 075109, 2008.

(BibTeX)

Kwak, H; Tiago, M L; Chan, T -L; Chelikowsky, J R

Hyperfine splitting of partially ionized Li donors in ZnO nanocrystals (Journal Article)

Chem. Phys. Lett., 454 , pp. 337, 2008.

(BibTeX)

96 entries « 3 of 5 »

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