Implementation of a general multireference configuration interaction procedure 
with analytic gradients in a semiempirical context using the graphical unitary 
group approach

Koslowski, A.; Beck, M. E.; Thiel, W.

doi:10.1002/jcc.10210

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Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach

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Koslowski, A.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Beck, M. E.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Thiel, W.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Koslowski, A., Beck, M. E., & Thiel, W. (2003). Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach. Journal of Computational Chemistry, 24(6), 714-726. doi:10.1002/jcc.10210.

Cite as: https://hdl.handle.net/11858/00-001M-0000-000F-9895-4

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