94jsdbKnmfE6AW5s1spVEJqi4mTxWS9ZDenLqjkMmEZcAhdwsemnvE3i2asy
Current position: Home >> Scientific Research >> Paper Publications

SOiCISCF: Combining SOiCI and iCISCF for Variational Treatment of Spin-Orbit Coupling

Hits:

Institution:化学与化工学院

Title of Paper:SOiCISCF: Combining SOiCI and iCISCF for Variational Treatment of Spin-Orbit Coupling

Journal:Journal of chemical theory and computation

First Author:郭阳

Document Code:1719280660559773697

Volume:19

Issue:19

Translation or Not:No

Date of Publication:2023-10

Release Time:2024-05-24

Prev 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

Next One:SparseMaps - A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory with pair natural orbital