raghurama123
@raghurama123.bsky.social
Excited to share the new work with
@AtreyeeMaj62799
on leveraging the bias-variance tradeoff in double-hybrid DFT!
arxiv.org/abs/2502.09330
We show how dh-DFT predictions can be self-corrected for accurate singlet–triplet gap estimations.
@AtreyeeMaj62799
on leveraging the bias-variance tradeoff in double-hybrid DFT!
arxiv.org/abs/2502.09330
We show how dh-DFT predictions can be self-corrected for accurate singlet–triplet gap estimations.
February 17, 2025 at 3:18 AM
Excited to share the new work with
@AtreyeeMaj62799
on leveraging the bias-variance tradeoff in double-hybrid DFT!
arxiv.org/abs/2502.09330
We show how dh-DFT predictions can be self-corrected for accurate singlet–triplet gap estimations.
@AtreyeeMaj62799
on leveraging the bias-variance tradeoff in double-hybrid DFT!
arxiv.org/abs/2502.09330
We show how dh-DFT predictions can be self-corrected for accurate singlet–triplet gap estimations.