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Describe what the current code offers in relation to what it lacks
There currently is no support for any kind of relativistic calculations, except for objects that can be real or complex. The current ˋSpinorBasesˋ are only suited for calculations up to 2 components (alpha and beta).
Additional context
In relativistic calculations, it is important that a kinetically/magnetically balanced bispinor basis is used. How could we implement a kinetically-balanced (or magnetically-balanced) basisset or bispinor basis?
A bispinor basis could have an L x L transformation matrix that is used to transform all components of the bispinor: either full 4C or as 2C.
This discussion was converted from issue #446 on December 10, 2020 21:01.
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Describe the feature you'd like
In order to support Dirac-HF (DHF) calculations:
Describe what the current code offers in relation to what it lacks
There currently is no support for any kind of relativistic calculations, except for objects that can be real or complex. The current ˋSpinorBasesˋ are only suited for calculations up to 2 components (alpha and beta).
Additional context
In relativistic calculations, it is important that a kinetically/magnetically balanced bispinor basis is used. How could we implement a kinetically-balanced (or magnetically-balanced) basisset or bispinor basis?
A bispinor basis could have an
L x L
transformation matrix that is used to transform all components of the bispinor: either full 4C or as 2C.Beta Was this translation helpful? Give feedback.
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