96 entries « 5 of 5 »

Huang, X; Makmal, A; Chelikowsky, J R; Kronik, L

Size-dependent spintronic properties of dilute magnetic semiconductor nanocrystals (Journal Article)

Phys. Rev. Lett., 94 , pp. 236801, 2005.

(BibTeX)

Guliamov, O; Kronik, L; Jackson, K A

Photoelectron spectroscopy as a structural probe of intermediate size clusters (Journal Article)

J. Chem. Phys., 123 , pp. 204312, 2005.

(BibTeX)

Kummel, S; Kronik, L; Perdew, J P

Electrical response of molecular chains from density functional theory (Journal Article)

Phys. Rev. Lett., 93 , pp. 213002, 2004.

(BibTeX)

Alemany, M M G; Jain, M; Kronik, L; Chelikowsky, J R

Real-space pseudopotential method for computing the electronic properties of periodic systems (Journal Article)

Phys. Rev. B, 69 , pp. 075101, 2004.

(BibTeX)

Troparevsky, M C; Kronik, L; Chelikowsky, J R

Optical properties of CdSe quantum dots (Journal Article)

J. Chem. Phys., 119 , pp. 2284, 2003.

(BibTeX)

Kronik, L; Fromherz, R; Ko, E; Gantefor, G; Chelikowsky, J R

Photoemission spectra of deuterated silicon clusters: experiment and theory (Journal Article)

Eur. Phys. J. D., 24 , pp. 33, 2003.

(BibTeX)

Chelikowsky, J R; Kronik, L; Vasiliev, I

Time dependent density functional theory for the optical spectra of molecules, clusters, and nanocrystals (Journal Article)

J. Phys.: Condensed Matter, 15 , pp. R1517, 2003.

(BibTeX)

Burdick, W R; Saad, Y; Kronik, L; Vasiliev, I; Jain, M; Chelikowsky, J R

Parallel Implementation of Time-Dependent Density Functional Theory (Journal Article)

Computer Phys. Comm., 156 , pp. 22, 2003.

(BibTeX)

Troparevsky, M C; Kronik, L; Chelikowsky, J R

Ab initio absorption spectra of CdSe clusters (Journal Article)

Phys. Rev. B, 65 , pp. 033311, 2002.

(BibTeX)

Kronik, L; Fromherz, R; Ko, E; Gantefor, G; Chelikowsky, J R

Highest electron affinity as a predictor of cluster anion structures (Journal Article)

Nature Materials, 1 , pp. 49, 2002.

(BibTeX)

Kronik, L; Vasiliev, I; Jain, M; Chelikowsky, J R

Ab Initio structures and polarizabilities of sodium clusters (Journal Article)

J. Chem. Phys., 115 , pp. 4322, 2001.

(BibTeX)

Kronik, L; Vasiliev, I; Chelikowsky, J R

Ab initio calculations for structure and temperature effects on the polarizabilities of Nan(n <~ 20) clusters (Journal Article)

Phys. Rev. B, 62 , pp. 9992, 2000.

(BibTeX)

Chelikowsky, J R

The pseudopotential-density functional method applied to nanostructures (Journal Article)

J. of Phys., D 33 , pp. R33, 2000.

(BibTeX)

Zhu, C; Byrd, R H; Nocedal, J

L-BFGS-B: Algorithm 778: L-BFGS-B, FORTRAN routines for large scale bound constrained optimization (Journal Article)

ACM Transactions on Mathematical Software, 23 , pp. 550, 1997.

(BibTeX)

Byrd, R H; Lu, P; Nocedal, J

A Limited Memory Algorithm for Bound Constrained Optimization (Journal Article)

SIAM Journal on Scientific and Statistical Computing, 16 , pp. 1190, 1995.

(BibTeX)

Chelikowsky, J R; Troullier, N; Saad, Y

Finite-difference-pseudopotential method: Electronic structure calculations without a basis (Journal Article)

Phys. Rev. Lett., 72 , pp. 1240, 1994.

(BibTeX)

96 entries « 5 of 5 »

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