共 50 条
- [2] A Modern First-Principles View on Ligand Field Theory Through the Eyes of Correlated Multireference Wavefunctions MOLECULAR ELECTRONIC STRUCTURES OF TRANSITION METAL COMPLEXES II, 2012, 143 : 149 - 220
- [3] First-Principles Calculations of Electron Transport through Azulene JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (17): : 9043 - 9052
- [6] First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes Journal of Computational Electronics, 2012, 11 : 78 - 92
- [8] Electron Transport of the Nanojunctions of (BN)n (n=1-4) Linear Chains: A First-Principles Study ACS OMEGA, 2021, 6 (24): : 15727 - 15736
- [9] A practical first-principles band-theory approach to the study of correlated materials EUROPEAN PHYSICAL JOURNAL B, 2009, 71 (02): : 139 - 183