Kummel, S; Kronik, L Hyperpolarizabilities of molecular chains: a real space approach (Journal Article) In: Comput. Mater. Sci, vol. 35, pp. 321, 2006. @article{KK06b,
title = {Hyperpolarizabilities of molecular chains: a real space approach},
author = {S Kummel and L Kronik},
year = {2006},
date = {2006-01-01},
journal = {Comput. Mater. Sci},
volume = {35},
pages = {321},
keywords = {},
pubstate = {published},
tppubtype = {article}
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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. @article{ZS06bb,
title = {Self-consistent-field calculations using Chebyshev-filtered subspace iteration},
author = {Y K Zhou and Y Saad and M L Tiago and J R Chelikowsky},
year = {2006},
date = {2006-01-01},
journal = {J. Comp. Phys.},
volume = {219},
pages = {172},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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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. @article{ZS06ab,
title = {Parallel self-consistent-field calculations via Chebyshev-filtered subspace acceleration},
author = {Y K Zhou and Y Saad and M L Tiago and J R Chelikowsky},
year = {2006},
date = {2006-01-01},
journal = {Phys. Rev. E},
volume = {74},
pages = {066704},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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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. @article{KM06b,
title = {PARSEC-the pseudopotential algorithm for real-space electronic structure calculations: Recent Advances and novel applications to nano-structures},
author = {L Kronik and A Makmal and M L Tiago and M M G Alemany and M Jain and X Huang and Y Saad and J R Chelikowsky},
year = {2006},
date = {2006-01-01},
journal = {physica status solidi (b)},
volume = {243},
pages = {1063},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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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. @article{TC05b,
title = {First-principles GW--BSE excitations in organic molecules},
author = {M L Tiago and J R Chelikowsky},
year = {2005},
date = {2005-01-01},
journal = {Solid State Communications},
volume = {136},
pages = {333-337},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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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. @article{NK05b,
title = {Ab initio absorption spectra of Ge nanocrystals},
author = {G Nesher and L Kronik and J R Chelikowsky},
year = {2005},
date = {2005-01-01},
journal = {Phys. Rev. B},
volume = {71},
pages = {035344},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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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. @article{HM05b,
title = {Size-dependent spintronic properties of dilute magnetic semiconductor nanocrystals},
author = {X Huang and A Makmal and J R Chelikowsky and L Kronik},
year = {2005},
date = {2005-01-01},
journal = {Phys. Rev. Lett.},
volume = {94},
pages = {236801},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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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. @article{GK05b,
title = {Photoelectron spectroscopy as a structural probe of intermediate size clusters},
author = {O Guliamov and L Kronik and K A Jackson},
year = {2005},
date = {2005-01-01},
journal = {J. Chem. Phys.},
volume = {123},
pages = {204312},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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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. @article{KK04b,
title = {Electrical response of molecular chains from density functional theory},
author = {S Kummel and L Kronik and J P Perdew},
year = {2004},
date = {2004-01-01},
journal = {Phys. Rev. Lett.},
volume = {93},
pages = {213002},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
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. @article{AJ04b,
title = {Real-space pseudopotential method for computing the electronic properties of periodic systems},
author = {M M G Alemany and M Jain and L Kronik and J R Chelikowsky},
year = {2004},
date = {2004-01-01},
journal = {Phys. Rev. B},
volume = {69},
pages = {075101},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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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. @article{TK03b,
title = {Optical properties of CdSe quantum dots},
author = {M C Troparevsky and L Kronik and J R Chelikowsky},
year = {2003},
date = {2003-01-01},
journal = {J. Chem. Phys.},
volume = {119},
pages = {2284},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
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. @article{KF03b,
title = {Photoemission spectra of deuterated silicon clusters: experiment and theory},
author = {L Kronik and R Fromherz and E Ko and G Gantefor and J R Chelikowsky},
year = {2003},
date = {2003-01-01},
journal = {Eur. Phys. J. D.},
volume = {24},
pages = {33},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
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. @article{CK03c,
title = {Time dependent density functional theory for the optical spectra of molecules, clusters, and nanocrystals},
author = {J R Chelikowsky and L Kronik and I Vasiliev},
year = {2003},
date = {2003-01-01},
journal = {J. Phys.: Condensed Matter},
volume = {15},
pages = {R1517},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
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. @article{BS03c,
title = {Parallel Implementation of Time-Dependent Density Functional Theory},
author = {W R Burdick and Y Saad and L Kronik and I Vasiliev and M Jain and J R Chelikowsky},
year = {2003},
date = {2003-01-01},
journal = {Computer Phys. Comm.},
volume = {156},
pages = {22},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
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. @article{TK02b,
title = {Ab initio absorption spectra of CdSe clusters},
author = {M C Troparevsky and L Kronik and J R Chelikowsky},
year = {2002},
date = {2002-01-01},
journal = {Phys. Rev. B},
volume = {65},
pages = {033311},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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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. @article{KF02b,
title = {Highest electron affinity as a predictor of cluster anion structures},
author = {L Kronik and R Fromherz and E Ko and G Gantefor and J R Chelikowsky},
year = {2002},
date = {2002-01-01},
journal = {Nature Materials},
volume = {1},
pages = {49},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
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. @article{KV01b,
title = {Ab Initio structures and polarizabilities of sodium clusters},
author = {L Kronik and I Vasiliev and M Jain and J R Chelikowsky},
year = {2001},
date = {2001-01-01},
journal = {J. Chem. Phys.},
volume = {115},
pages = {4322},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
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. @article{KV00b,
title = {Ab initio calculations for structure and temperature effects on the polarizabilities of Nan(n <~ 20) clusters},
author = {L Kronik and I Vasiliev and J R Chelikowsky},
year = {2000},
date = {2000-01-01},
journal = {Phys. Rev. B},
volume = {62},
pages = {9992},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Chelikowsky, J R The pseudopotential-density functional method applied to nanostructures (Journal Article) In: J. of Phys., vol. D 33, pp. R33, 2000. @article{JC00b,
title = {The pseudopotential-density functional method applied to nanostructures},
author = {J R Chelikowsky},
year = {2000},
date = {2000-01-01},
journal = {J. of Phys.},
volume = {D 33},
pages = {R33},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
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. @article{ZB97b,
title = {L-BFGS-B: Algorithm 778: L-BFGS-B, FORTRAN routines for large scale bound constrained optimization},
author = {C Zhu and R H Byrd and J Nocedal},
year = {1997},
date = {1997-01-01},
journal = {ACM Transactions on Mathematical Software},
volume = {23},
pages = {550},
keywords = {},
pubstate = {published},
tppubtype = {article}
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