Engineering topics
Surjuse, Kshitijkumar (ORCID:0000000223262172)
Publications and source records attributed to Surjuse, Kshitijkumar (ORCID:0000000223262172).
Economical quasi-Newton unitary optimization of electronic orbitals
State-of-the-art quasi-Newton unitary optimizer with trust-region (QUOTR) is nearly as efficient as the reference method for simple cases and is more robust for complex cases such as proteins with zero HOMO–LUMO gap in semilocal Kohn–Sham DFT.
Chemistry↗