Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: Geometry optimization and spin-state energetics of a ruthenium nitrosyl complex

Title
Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: Geometry optimization and spin-state energetics of a ruthenium nitrosyl complex
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 140, Issue 17, Pages 174103
Publisher
AIP Publishing
Online
2014-05-06
DOI
10.1063/1.4873349

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