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Implement support for GIAOs #11

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berquist opened this issue Feb 23, 2021 · 0 comments
Open

Implement support for GIAOs #11

berquist opened this issue Feb 23, 2021 · 0 comments
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enhancement

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@berquist
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Since B-field derivatives of the overlap matrix will appear, leading to non-zero oo and vv terms, this would require redimensioning everything from ov/vo to the full MO space, or just working in the AO space.
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@berquist