Gradients for configuration interaction energies with spin-orbit coupling in a semiempirical framework

Title
Gradients for configuration interaction energies with spin-orbit coupling in a semiempirical framework
Authors
Keywords
-
Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 32, Issue 12, Pages 2690-2696
Publisher
Wiley
Online
2011-06-07
DOI
10.1002/jcc.21850

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