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Atomic physics / Theoretical chemistry / Chemical bonding / Atomic orbital / Electron configuration / Configuration interaction / Basis set / Chemistry / Quantum chemistry / Computational chemistry


PHYSICAL REVIEW A 80, 052507 共2009兲 Hylleraas-configuration-interaction study of the 2 2S ground state of neutral lithium and the first five excited 2S states James S. Sims National Institute of Standards and Techno
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Document Date: 2009-11-20 13:08:29


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Indiana University / James S. Sims National Institute of Standards and Technology / /

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nonrelativistic energy / rij energy / oddodd-odd rij products / appropriate orbital products / kinetic-energy part / ground-state energy / energy improvements / rij products / parallel processing / odd-odd rmn products / estimated exact energy / rij energy limit / energy / important linked products / rmn products / even power products / orbital products / linked odd-odd products / hard energy limit / final energy / orbital product / ppd products / hartree product / energy value / important unlinked products / idempotent antisymmetry projection operator / /

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