Electron Density in Quantum Theory View Full Text


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Chapter Info

DATE

2011-02-08

AUTHORS

Samuel Fux , Markus Reiher

ABSTRACT

In this work, we review the theory of the electron density in quantum chemistry and discuss to which extent relativistic effects are recovered by approximate relativistic Hamiltonians. For this purpose, we give an overview on different approximations to the fully relativistic many-electron Hamiltonian. In addition, we present new results, considering correlation effects on the electron density of a transition metal complex. More... »

PAGES

99-142

Book

TITLE

Electron Density and Chemical Bonding II

ISBN

978-3-642-30807-9
978-3-642-30808-6

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/430_2010_37

DOI

http://dx.doi.org/10.1007/430_2010_37

DIMENSIONS

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