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8f89e3d239
* Documentation * Improved qp_set_frozen_core * Changed all ishft * New install script OK * Variable level shift in HF
39 lines
619 B
ReStructuredText
39 lines
619 B
ReStructuredText
.. _mo_one_e_integrals:
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.. program:: mo_one_e_integrals
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.. default-role:: option
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==================
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MO_one_e_integrals
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==================
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All the one-electron integrals in |MO| basis are defined here.
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EZFIO parameters
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----------------
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.. option:: integral_nuclear
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Nucleus-electron integrals in |MO| basis set
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.. option:: integral_kinetic
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Kinetic energy integrals in |MO| basis set
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.. option:: integral_pseudo
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Pseudopotential integrals in |MO| basis set
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.. option:: disk_access_mo_one_integrals
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Read/Write |MO| one-electron integrals from/to disk [ Write | Read | None ]
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Default: None
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