102 entries « 5 of 6 »

Kummel, S; Kronik, L

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

In: Comput. Mater. Sci, vol. 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)

In: J. Comp. Phys., vol. 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)

In: Phys. Rev. E, vol. 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)

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

(BibTeX)

Tiago, M L; Chelikowsky, J R

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

In: Solid State Communications, vol. 136, pp. 333-337, 2005.

(BibTeX)

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

Ab initio absorption spectra of Ge nanocrystals (Journal Article)

In: Phys. Rev. B, vol. 71, pp. 035344, 2005.

(BibTeX)

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

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

In: Phys. Rev. Lett., vol. 94, pp. 236801, 2005.

(BibTeX)

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

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

In: J. Chem. Phys., vol. 123, pp. 204312, 2005.

(BibTeX)

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

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

In: Phys. Rev. Lett., vol. 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)

In: Phys. Rev. B, vol. 69, pp. 075101, 2004.

(BibTeX)

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

Optical properties of CdSe quantum dots (Journal Article)

In: J. Chem. Phys., vol. 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)

In: Eur. Phys. J. D., vol. 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)

In: J. Phys.: Condensed Matter, vol. 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)

In: Computer Phys. Comm., vol. 156, pp. 22, 2003.

(BibTeX)

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

Ab initio absorption spectra of CdSe clusters (Journal Article)

In: Phys. Rev. B, vol. 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)

In: Nature Materials, vol. 1, pp. 49, 2002.

(BibTeX)

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

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

In: J. Chem. Phys., vol. 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)

In: Phys. Rev. B, vol. 62, pp. 9992, 2000.

(BibTeX)

Chelikowsky, J R

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

In: J. of Phys., vol. 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)

In: ACM Transactions on Mathematical Software, vol. 23, pp. 550, 1997.

(BibTeX)

102 entries « 5 of 6 »