Stability of the complex generalized Hartree-Fock equations

Ab initio non-relativistic spin dynamics

(2014) Feizhi Ding et al.   JOURNAL OF CHEMICAL PHYSICS

PtZnH5–, A σ-Aromatic Cluster

(2014) Xinxing Zhang et al.   Journal of Physical Chemistry Letters

Non-collinear magnetism induced by frustration in transition-metal nanostructures deposited on surfaces

(2014) S Lounis   JOURNAL OF PHYSICS-CONDENSED MATTER

Proper and improper zero energy modes in Hartree-Fock theory and their relevance for symmetry breaking and restoration

(2013) Yao Cui et al.   JOURNAL OF CHEMICAL PHYSICS

Noncollinear Spin States for Density Functional Calculations of Open-Shell and Multi-Configurational Systems: Dissociation of MnO and NiO and Barrier Heights of O3, BeH2, and H4

(2013) Sijie Luo et al.   Journal of Chemical Theory and Computation

Noncollinear density functional theory having proper invariance and local torque properties

(2013) Ireneusz W. Bulik et al.   PHYSICAL REVIEW B

Projected Hartree–Fock theory

(2012) Carlos A. Jiménez-Hoyos et al.   JOURNAL OF CHEMICAL PHYSICS

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

Projected quasiparticle theory for molecular electronic structure

(2011) Gustavo E. Scuseria et al.   JOURNAL OF CHEMICAL PHYSICS

Noncollinear Spins Provide a Self-Consistent Treatment of the Low-Spin State of a Biomimetic Oxomanganese Synthetic Trimer Inspired by the Oxygen Evolving Complex of Photosystem II

(2011) Sijie Luo et al.   Journal of Physical Chemistry Letters