Having served as a playground for fundamental studies on the physics of d and f electrons
for almost a century, magnetic molecules are now becoming increasingly important for …

Magnetic lanthanide (Ln) metal complexes exhibiting magnetic bistability can behave as
molecular nanomagnets, also known as single-molecule magnets (SMMs), suitable for …

The developments of the open-source OpenMolcas chemistry software environment since
spring 2020 are described, with a focus on novel functionalities accessible in the stable …

The study of how spin interacts with lattice vibrations and relaxes to equilibrium provides
unique insights into its chemical environment and the relation between electronic structure …

Vibronic coupling, the interaction between molecular vibrations and electronic states, is a
fundamental effect that profoundly affects chemical processes. In the case of molecular …

Spin-phonon coupling is the main driver of spin relaxation and decoherence in solid-state
semiconductors at finite temperature. Controlling this interaction is a central problem for …

Single-molecule magnets (SMMs) showing magnetic blocking near or above liquid nitrogen
temperature have recently been achieved by inducing exceptionally strong and axial crystal …

Dy (III) bis-cyclopentadienyl (Cp) sandwich compounds exhibit extremely strong single-ion
magnetic anisotropy which imbues them with magnetic memory effects such as magnetic …

Accurate modeling of vibronically driven magnetic relaxation from ab initio calculations is of
paramount importance to the design of next-generation single-molecule magnets (SMMs) …

The design of molecular magnets has progressed greatly by taking advantage of the ability
to impart successive perturbations and control vibronic transitions in 4f n systems through …