All Stories

  1. Compact sum-of-products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition
  2. Sum-of-products form of the molecular electronic Hamiltonian and application within the MCTDH method
  3. Exploration of interlacing and avoided crossings in a manifold of potential energy curves by a unitary group adapted state specific multi-reference perturbation theory (UGA-SSMRPT)
  4. Non-adiabatic quantum dynamics without potential energy surfaces based on second-quantized electrons: Application within the framework of the MCTDH method
  5. Relativistic double-ionization equation-of-motion coupled-cluster method: Application to low-lying doubly ionized states
  6. Electron–nucleus scalar–pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework