Efficient algorithm for two-center Coulomb and exchange integrals of electronic prolate spheroidal orbitals (Q450197)
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scientific article
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| English | Efficient algorithm for two-center Coulomb and exchange integrals of electronic prolate spheroidal orbitals |
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Efficient algorithm for two-center Coulomb and exchange integrals of electronic prolate spheroidal orbitals (English)
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13 September 2012
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Schrödinger equation
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Coulomb integrals
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prolate spheroidal coordinates
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diatomic molecules
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molecular orbitals
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Laguerre expansions
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0.802760660648346
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0.7742175459861755
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0.7612978219985962
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0.7603346705436707
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