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Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools
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Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis
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Topic: Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis (Read 6911 times)
greisen
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Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis
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July 14, 2011, 02:51:03 PM »
Hi
Is it possible to get this Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis using Turbomole or can one export the turbomole results into some program that will do the trick?
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TURBOMOLE Users Forum
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TURBOMOLE Modules
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Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools
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Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis