ZRxj4380pG6JgtTtQ4L90Xbpz5oa2gmMrSiuEFj4yeXy3FQCJ7Z2cwGm5asC
Current position: Home >> Scientific Research >> Paper Publications

Sublinear scaling method for indirect spin–spin coupling constant calculations at Hartree–Fock and density functional theory level

Hits:

Institution:光学高等研究中心

Title of Paper:Sublinear scaling method for indirect spin–spin coupling constant calculations at Hartree–Fock and density functional theory level

Journal:THE JOURNAL OF CHEMICAL PHYSICS

First Author:闫伯涵

Document Code:89BFD5E204774786A663B2506B57038E

Issue:224110

Number of Words:12

Translation or Not:No

Date of Publication:2025-06

Release Time:2025-09-18

Next One:Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). III. Large active space calculations with selected configuration interaction reference