Full triples contribution in coupled-cluster and equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields
Florian Hampe, Niklas Gross, Stella Stopkowicz
Abstract
Finite-field EOM-CCSDT: a highly accurate method for the theoretical prediction of excitation energies and electronic spectra in strong magnetic fields.
Topics & Concepts
Coupled clusterCluster (spacecraft)Motion (physics)PhysicsMagnetic fieldEquations of motionMoleculeChemistryClassical mechanicsAtomic physicsQuantum mechanicsComputer scienceProgramming languageAdvanced Chemical Physics StudiesQuantum, superfluid, helium dynamicsCold Atom Physics and Bose-Einstein Condensates