On the evaluation of nonadiabatic coupling matrix elements for MCSCF/CI wave functions using analytic derivative methods. III. Second derivative terms
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.450144
Reference15 articles.
1. Nonradiative electronic relaxation under collision-free conditions
2. Nuclear‐motion corrections to Born–Oppenheimer barrier heights for chemical reactions
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4. A quadratically convergent MCSCF method for the simultaneous optimization of several states
5. On the evaluation of nonadiabatic coupling matrix elements using SA‐MCSCF/CI wave functions and analytic gradient methods. I
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