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Add trust-region augmented Hessian (TRAH) SCF converger #3

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garantes opened this issue Sep 29, 2023 · 0 comments
Open

Add trust-region augmented Hessian (TRAH) SCF converger #3

garantes opened this issue Sep 29, 2023 · 0 comments
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enhancement New feature or request help wanted Extra attention is needed

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@garantes
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This is a "feature request".

Implement a trust-region 2nd-order (TRAH) SCF converger as described here:
https://doi.org/10.1063/5.0040798

Guilherme
@garantes garantes added enhancement New feature or request help wanted Extra attention is needed labels Sep 29, 2023
@garantes garantes changed the title Add the trust-region augmented Hessian (TRAH) SCF converger Add trust-region augmented Hessian (TRAH) SCF converger Sep 29, 2023
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@garantes