HIRAO KIMIHIKO – författare
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2 produkter
RECENT ADVANCES IN MULTIREFERENCE METHODS
Inbunden, 1999
1558 kr
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Recently, accurate ab initio quantum computational chemistry has evolved dramatically. In particular, the development of multireference-based approaches has opened up a whole new area and has also had a profound impact on the potential of theoretical chemistry.The multiconfigurational SCF …
RECENT ADVANCES IN RELATIVISTIC MOLECULAR THEORY
Av HIRAO KIMIHIKO, Kimihiko Hirao m. fl.
Inbunden, 2004
2587 kr
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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 …