Noncollinear density functional theory having proper invariance and local torque properties

A New Approach to Noncollinear Spin Density Functional Theory beyond the Local Density Approximation

(2012) Giovanni Scalmani et al.   Journal of Chemical Theory and Computation

Improved semiconductor lattice parameters and band gaps from a middle-range screened hybrid exchange functional

(2012) M J Lucero et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Kagome Antiferromagnet: A Chiral Topological Spin Liquid?

(2012) Laura Messio et al.   PHYSICAL REVIEW LETTERS

Generalized Hartree–Fock Description of Molecular Dissociation

(2011) Carlos A. Jiménez-Hoyos et al.   Journal of Chemical Theory and Computation

Dzyaloshinskii-Moriya interaction and spin reorientation transition in the frustrated kagome lattice antiferromagnet

(2011) K. Matan et al.   PHYSICAL REVIEW B

Heisenberg antiferromagnet on the kagome lattice with arbitrary spin: A higher-order coupled cluster treatment

(2011) O. Götze et al.   PHYSICAL REVIEW B

Accurate treatment of solids with the HSE screened hybrid

(2010) Thomas M. Henderson et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Magnetism and exchange coupling in iron pnictides

(2010) J J Pulikkotil et al.   SUPERCONDUCTOR SCIENCE & TECHNOLOGY

Assessment of a Middle-Range Hybrid Functional

(2008) Thomas M. Henderson et al.   Journal of Chemical Theory and Computation

Self-consistent treatment of spin–orbit interactions with efficient Hartree–Fock and density functional methods

(2008) Markus K. Armbruster et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS