Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation

• Main Authors: Chibotaru, LF, Ungur, L
• Other Authors: CHEMISTRY
• Format: Article
• Language: English
• Published: AMER INST PHYSICS 2022
• Subjects: Science & Technology; Physical Sciences; Chemistry, Physical; Physics, Atomic, Molecular & Chemical; Chemistry; Physics; SINGLE-MOLECULE MAGNET; 2ND-ORDER PERTURBATION-THEORY; SPACE SCF METHOD; PARAMAGNETIC-RESONANCE; ZEEMAN SPLITTINGS; FIELD; TRANSITION; MATRIX; BEHAVIOR; STATE
• Online Access: https://scholarbank.nus.edu.sg/handle/10635/228835
• Institution: National University of Singapore

10.1063/1.4739763