96 entries « 4 of 5 »

Zayak, A T; Entel, P; Chelikowsky, J R

Minority spin polarization and surface magnetic enhancement in Heusler clusters (Journal Article)

Phys. Rev. B, 77 , pp. 212401, 2008.

(BibTeX)

Alemany, M M G; Huang, X; Tiago, M L; Gallego, L J; Chelikowsky, J R

Ab initio calculations for p-type doped bulk indium phosphide (Journal Article)

Solid State Commun., 146 , pp. 245, 2008.

(BibTeX)

Zayak, A T; Beckman, S; Tiago, M; Entel, P; Chelikowsky, J R

Switchable Heusler Clusters (Journal Article)

J. Appl. Phys., 104 , pp. 074307, 2008.

(BibTeX)

Kong, L; Chelikowsky, J R

Transport properties of transition-metal-encapsulated Si cages (Journal Article)

Phys. Rev. B, 77 , pp. 073401, 2008.

(BibTeX)

Chan, T -L; Tiago, M L; Kaxiras, E; Chelikowsky, J R

Size Limits on Doping Phosphorus into Silicon Nanocrystals (Journal Article)

Nano Letters, 8 , pp. 596, 2008.

(BibTeX)

Kwak, H; Tiago, M L; Chelikowsky, J R

Quantum Confinement and Strong Coulombic Correlation in ZnO Nanocrystals (Journal Article)

Solid State Commun., 145 , pp. 227, 2008.

(BibTeX)

Alemany, M M G; Tortajada, L; Huang, X; Tiago, M L; Gallego, L J; Chelikowsky, J R

The role of dimensionality and quantum confinement in p-type semiconductor indium phosphide nanomaterials (Journal Article)

Phys. Rev. B, 78 , pp. 233101, 2008.

(BibTeX)

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

The Role of Quantum Confinement and Hyperfine Splitting in Li Doped ZnO Nanocrystals (Journal Article)

Phys. Rev. B, 78 , pp. 195324, 2008.

(BibTeX)

Natan, A; Benjamini, 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)

Guliamov, O; Kronik, L; Martin, J M L

Polarizability of small carbon cluster anions from first principles (Journal Article)

J. Phys. Chem., A 111 , pp. 2028, 2007.

(BibTeX)

Naveh, D; Kronik, L; Tiago, M L; Chelikowsky, J R

Real-Space Pseudopotential method for Spin-Orbit Coupling within Density Functional Theory (Journal Article)

Phys. Rev. B, 76 , pp. 153407, 2007.

(BibTeX)

Sitt, A; Kronik, L; Ismail-Beigi, S; Chelikowsky, J R

Excited state forces within time-dependent density functional theory: a frequency domain approach (Journal Article)

Phys. Rev. A, 76 , pp. 054501, 2007.

(BibTeX)

Tiago, M L; Chelikowsky, J R

Optical excitations in organic molecules, clusters, and defects studied by first-principles Green's function methods (Journal Article)

Physical Review B, 73 , pp. 205334, 2006.

(BibTeX)

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

Excitonic Effects and Optical Properties of Passivated CdSe Clusters (Journal Article)

Physical Review Letters, 97 , pp. 096401, 2006.

(BibTeX)

Kummel, S; Kronik, L

Hyperpolarizabilities of molecular chains: a real space approach (Journal Article)

Comput. Mater. Sci, 35 , pp. 321, 2006.

(BibTeX)

Zhou, Y K; Saad, Y; Tiago, M L; Chelikowsky, J R

Self-consistent-field calculations using Chebyshev-filtered subspace iteration (Journal Article)

J. Comp. Phys., 219 , pp. 172, 2006.

(BibTeX)

Zhou, Y K; Saad, Y; Tiago, M L; Chelikowsky, J R

Parallel self-consistent-field calculations via Chebyshev-filtered subspace acceleration (Journal Article)

Phys. Rev. E, 74 , pp. 066704, 2006.

(BibTeX)

Kronik, L; Makmal, A; Tiago, M L; Alemany, M M G; Jain, M; Huang, X; Saad, Y; Chelikowsky, J R

PARSEC-the pseudopotential algorithm for real-space electronic structure calculations: Recent Advances and novel applications to nano-structures (Journal Article)

physica status solidi (b), 243 , pp. 1063, 2006.

(BibTeX)

Tiago, M L; Chelikowsky, J R

First-principles GW--BSE excitations in organic molecules (Journal Article)

Solid State Communications, 136 , pp. 333-337, 2005.

(BibTeX)

Nesher, G; Kronik, L; Chelikowsky, J R

Ab initio absorption spectra of Ge nanocrystals (Journal Article)

Phys. Rev. B, 71 , pp. 035344, 2005.

(BibTeX)

96 entries « 4 of 5 »

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