The “Staple” Motif:  A Key to Stability of Thiolate-Protected Gold Nanoclusters von Jiang, De-en, Tiago, Murilo L, Luo, Weidong, Dai, Sheng

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Self-consistent-field calculations using Chebyshev-filtered subspace iteration von Zhou, Yunkai, Saad, Yousef, Tiago, Murilo L., Chelikowsky, James R.

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PARSEC - the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures von Kronik, Leeor, Makmal, Adi, Tiago, Murilo L., Alemany, M. M. G., Jain, Manish, Huang, Xiangyang, Saad, Yousef, Chelikowsky, James R.

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In Search of a Structural Model for a Thiolate-protected Au38 Cluster von Jiang, De-en, Luo, Weidong, Tiago, Murilo L, Dai, Sheng

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Excitonic effects and optical properties of passivated CdSe clusters von del Puerto, Marie Lopez, Tiago, Murilo L, Chelikowsky, James R

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Evolution of magnetism in iron from the atom to the bulk von Tiago, Murilo L, Zhou, Yunkai, Alemany, M M G, Saad, Yousef, Chelikowsky, James R

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Shellwise Mackay transformation in iron nanoclusters von Rollmann, Georg, Gruner, Markus E, Hucht, Alfred, Meyer, Ralf, Entel, Peter, Tiago, Murilo L, Chelikowsky, James R

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Quasiparticle electronic structure of bismuth telluride in the GW approximation von Kioupakis, Emmanouil, Tiago, Murilo L, Louie, Steven G.

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Size Limits on Doping Phosphorus into Silicon Nanocrystals von Chan, T.-L, Tiago, Murilo L, Kaxiras, Efthimios, Chelikowsky, James R

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Neutral and charged excitations in carbon fullerenes from first-principles many-body theories von Tiago, Murilo L., Kent, P. R. C., Hood, Randolph Q., Reboredo, Fernando A.

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Photoisomerization of azobenzene from first-principles constrained density-functional calculations von Tiago, Murilo L, Ismail-Beigi, Sohrab, Louie, Steven G

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First-principles GW–BSE excitations in organic molecules von Tiago, Murilo L., Chelikowsky, James R.

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Systematic reduction of sign errors in many-body calculations of atoms and molecules von Bajdich, Michal, Tiago, Murilo L, Hood, Randolph Q, Kent, Paul R C, Reboredo, Fernando A

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Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules von Dias da Silva, Luis G. G. V., Tiago, Murilo L., Ulloa, Sergio E., Reboredo, Fernando A., Dagotto, Elbio

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Real space method for the electronic structure of one-dimensional periodic systems von Han, Jiaxin, Tiago, Murilo L, Chan, T-L, Chelikowsky, James R

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Optical excitations in organic molecules, clusters, and defects studied by first-principles Green’s function methods von Tiago, Murilo L., Chelikowsky, James R.

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Parallel self-consistent-field calculations via Chebyshev-filtered subspace acceleration von Zhou, Yunkai, Saad, Yousef, Tiago, Murilo L, Chelikowsky, James R

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Quantum confinement and strong coulombic correlation in ZnO nanocrystals von Kwak, Hyunwook, Tiago, Murilo L., Chelikowsky, James R.

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Symmetry Considerations in CdSe Nanocrystals von Dalpian, Gustavo M, Tiago, Murilo L, Lopez del Puerto, Marie, Chelikowsky, James R

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Algorithms for the electronic and vibrational properties of nanocrystals von Chelikowsky, James R, Zayak, Alexey T, Chan, T-L, Tiago, Murilo L, Zhou, Yunkai, Saad, Yousef

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