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Self-consistent-field calculations using Chebyshev-filtered subspace iteration (Journal Article) In: J. Comp. Phys., vol. 219, pp. 172, 2006. |
Parallel self-consistent-field calculations via Chebyshev-filtered subspace acceleration (Journal Article) In: Phys. Rev. E, vol. 74, pp. 066704, 2006. |
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. |
First-principles GW--BSE excitations in organic molecules (Journal Article) In: Solid State Communications, vol. 136, pp. 333-337, 2005. |
Ab initio absorption spectra of Ge nanocrystals (Journal Article) In: Phys. Rev. B, vol. 71, pp. 035344, 2005. |
Size-dependent spintronic properties of dilute magnetic semiconductor nanocrystals (Journal Article) In: Phys. Rev. Lett., vol. 94, pp. 236801, 2005. |
Photoelectron spectroscopy as a structural probe of intermediate size clusters (Journal Article) In: J. Chem. Phys., vol. 123, pp. 204312, 2005. |
Electrical response of molecular chains from density functional theory (Journal Article) In: Phys. Rev. Lett., vol. 93, pp. 213002, 2004. |
Real-space pseudopotential method for computing the electronic properties of periodic systems (Journal Article) In: Phys. Rev. B, vol. 69, pp. 075101, 2004. |
Optical properties of CdSe quantum dots (Journal Article) In: J. Chem. Phys., vol. 119, pp. 2284, 2003. |
Photoemission spectra of deuterated silicon clusters: experiment and theory (Journal Article) In: Eur. Phys. J. D., vol. 24, pp. 33, 2003. |
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. |
Parallel Implementation of Time-Dependent Density Functional Theory (Journal Article) In: Computer Phys. Comm., vol. 156, pp. 22, 2003. |
Ab initio absorption spectra of CdSe clusters (Journal Article) In: Phys. Rev. B, vol. 65, pp. 033311, 2002. |
Highest electron affinity as a predictor of cluster anion structures (Journal Article) In: Nature Materials, vol. 1, pp. 49, 2002. |
Ab Initio structures and polarizabilities of sodium clusters (Journal Article) In: J. Chem. Phys., vol. 115, pp. 4322, 2001. |
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. |
The pseudopotential-density functional method applied to nanostructures (Journal Article) In: J. of Phys., vol. D 33, pp. R33, 2000. |
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. |
PublicationsJim Chelikowsky2023-02-06T22:14:56+00:00