New challenges in quantum chemistry: quests for accurate calculations for large molecular systems

As quantum chemistry plays a more and more central role in many complicated chemical problems, it has become necessary to obtain accurate results for large molecular systems. Conventional quantum chemistry methods are either too expensive to apply to large systems or too approximate for the results...

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Veröffentlicht in:Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences physical, and engineering sciences, 2002-06, Vol.360 (1795), p.1149-1164
1. Verfasser: Morokuma, Keiji
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Sprache:eng
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