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PHYSICAL REVIEW A, VOLUME 63, 0132XX Electronic structure of calcium clusters Jeffrey W. Mirick, Chang-Hong Chien, and Estela Blaisten-Barojas* School of Computational Sciences, George Mason University, Fairfax, Virgini
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Document Date: 2000-11-10 08:39:36


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Springer-Verlag / Fairfax / New York / Pittsburgh / Stuttgart / /

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Gaussian Inc. / Cs CO C / done using GAUSSIAN-98 / /

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Facility

George Mason University / /

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lowest-energy isomer / electron exchange energy / lowest-energy structure / lowest-energy isomers / lowest-energy structures / free energy / energy gap / local and nonlocal correlation energy functionals / Energy stability pattern / free-energy / energy surfaces / energy curve / energy barriers / energy gap decreases / energy lays / Low-energy stable isomers / chemical usages / dissociation energy / energy difference / zero-point energy correction / cohesive energy / energy / higher-energy isomers / low-energy isomers / minimum energy isomer geometry / carbon-chemical engineering / cluster binding energy / exchange energy / internal energy / energy stability / electron correlation energy / reported energy / point / higher energy / lowest total energy / lowest-energy geometries / energy surface / /

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D. V / /

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Ph.D. / /

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Fermi / /

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National Science Foundation / U.S. Securities and Exchange Commission / Federal Communications Commission / George Mason University / Estela Blaisten-Barojas* School of Computational Sciences / /

Person

Chang-Hong Chien / B. N. Cox / E. Blaisten-Barojas / P. S. Bagus / Estela Blaisten-Barojas / J. W. McCaffrey / Mark R. Pederson / Van Nostrad Reinhold / C. J. Nelin / D. V. Porezag / D. Papaconstantopoulos / C. W. Bauschlicher / Jr. / C. H. Chien / J. R. Anderson / Jeffrey W. Mirick / T. P. Martin / M. R. Pederson / K. A. Jackson / /

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D. J. / /

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B3PW91 / /

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R / /

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Virginia / New York / Pennsylvania / /

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lasers / broadening algorithm / /

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http /

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