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21 lines
718 B
ReStructuredText
21 lines
718 B
ReStructuredText
=======================
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OVB
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=======================
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The present module proposes an orthogonal Valence Bond analysis
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of the wave function, that are the printing of the various Hamiltonian
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matrix elements on the basis of the level of ionicity of the components
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of the wave function.
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Assumptions : it supposes that you have some orthogonal local orbitals within
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the active space and that you performed a CI within the active orbitals.
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Such CI might be complete or not, no matter.
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Needed Modules
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==============
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.. Do not edit this section It was auto-generated
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.. by the `update_README.py` script.
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Documentation
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=============
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.. Do not edit this section It was auto-generated
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.. by the `update_README.py` script.
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