Cost-Effective Treatment of Scalar Relativistic Effects for Multireference Systems: A CASSCF Implementation Based on the Spin-free Dirac–Coulomb Hamiltonian

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Title
Cost-Effective Treatment of Scalar Relativistic Effects for Multireference Systems: A CASSCF Implementation Based on the Spin-free Dirac–Coulomb Hamiltonian
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 12, Issue 9, Pages 4284-4295
Publisher
American Chemical Society (ACS)
Online
2016-07-28
DOI
10.1021/acs.jctc.6b00609

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