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Quantum chemistry / Configuration interaction / ACES / Variational method / Chemistry / Computational chemistry / Theoretical chemistry


THE JOURNAL OF CHEMICAL PHYSICS 124, 094101 共2006兲 High precision variational calculations for the Born-Oppenheimer energies of the ground state of the hydrogen molecule James S. Simsa兲 National Institute of Stand
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Document Date: 2011-03-11 14:55:15


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American Institute of Physics Downloaded / National Institute of Standards and Technology / Indiana University / American Institute of Physics / /

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type products / energy contribution / nonrelativistic energy / variational energy / theoretical dissociation energy / potential energy / electron correlation energy / http /

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National Institute of Standards and Technology / Indiana University / Bloomington / American Institute of Physics / National Science Foundation / U.S. Securities and Exchange Commission / Stanley A. Hagstrom Department of Chemistry / /

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Wojciech Cencek / Aaron Fein / Denis Lehane / James S. Simsa / John Rumble / Jacek Komasa / Judith Devaney Terrill / Carl Spangler / Maria Belen Ruiz / Michael Strawbridge / Peter Mohr / /

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R / FORTRAN 90 / /

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THE JOURNAL OF CHEMICAL PHYSICS / Molecules / /

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