Premium
Current development of noncollinear electronic structure theory
Author(s) -
Goings Joshua J.,
Egidi Franco,
Li Xiaosong
Publication year - 2018
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25398
Subject(s) - physics , electronic structure , hamiltonian (control theory) , condensed matter physics , symmetry breaking , density functional theory , theoretical physics , spin wave , microscopic theory , excited state , symmetry (geometry) , wave function , quantum mechanics , ferromagnetism , mathematics , mathematical optimization , geometry
In this Perspective, we review recent developments in noncollinear electronic structure theory. After a brief historical overview of studies into broken symmetry wave functions, we show that noncollinear wave functions are necessary for studying spin and magnetic phenomena on account of spin‐symmetry breaking terms in the Hamiltonian. Recent developments applying noncollinear electronic structure theory to magnetization dynamics, spin dynamics, and spin‐orbit coupling in excited state properties are showcased. We also discuss some recent developments in noncollinear density functional theory. Finally, we comment on the future of noncollinear electronic structure theory.