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- 2014
- Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)
- Linear response theory for the density matrix renormalization group: efficient algorithms for strongly correlated excited states
- Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics
- Direct computation of parameters for accurate polarizable force fields
- Deriving the Hirshfeld partitioning using distance metrics
- Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal
- Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation
- Linear-response time-dependent density-functional theory with pairing fields
- A hybrid configuration interaction treatment based on seniority number and excitation schemes
- Computational approach to the study of thermal spin crossover phenomena