A reduced cost four-component relativistic coupled cluster method based on natural spinors S Chamoli, K Surjuse, B Jangid, MK Nayak, AK Dutta The Journal of Chemical Physics 156 (20), 2022 | 10 | 2022 |
A low-cost four-component relativistic equation of motion coupled cluster method based on frozen natural spinors: Theory, implementation, and benchmark K Surjuse, S Chamoli, MK Nayak, AK Dutta The Journal of Chemical Physics 157 (20), 2022 | 8 | 2022 |
BAGH: A quantum chemistry software package AK Dutta, A Manna, B Jangid, K Majee, K Surjuse, M Mukherjee, M Thapa, ... | 6 | 2023 |
Economical quasi-Newton unitary optimization of electronic orbitals SA Slattery, KA Surjuse, CC Peterson, DA Penchoff, EF Valeev Physical Chemistry Chemical Physics 26 (8), 6557-6573, 2024 | 4 | 2024 |
Economical Quasi-Newton Self Consistent Field Solver SA Slattery, K Surjuse, EF Valeev arXiv preprint arXiv:2307.00560, 2023 | 1 | 2023 |
Relativistic coupled cluster with completely renormalized and perturbative triples corrections SH Yuwono, RR Li, T Zhang, KA Surjuse, EF Valeev, X Li, ... The Journal of Physical Chemistry A 128 (31), 6521-6539, 2024 | | 2024 |