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Recent Advances in Relativistic Molecular Theory (Recent Advances in Computational Chemistry - Vol. 5)

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 | #10232622 in Books |  2004-02-03 | Original language:English | PDF # 1 |  9.18 x.90 x6.14l,1.35 | File type: PDF | 344 pages

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Relativistic effects, though minor in light atoms, increase rapidly in magnitude as the atomic number increases. For heavy atom species, it becomes necessary to discard the Schrödinger equation in favor of the Dirac equation. Construction of an effective many-body Hamiltonian that accurately accounts for both relativistic and electron correlation effects in many-electron systems is a challenge. It is only in the past 20-25 years that relativistic quantum chemistry h...

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