Obtaining Hartree–Fock and density functional theory doubly excited states with Car–Parrinello density matrix search

Car–Parrinello density matrix search with a first principles fictitious electron mass method for electronic wave function optimization

(2009) Xiaosong Li et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling the doubly excited state with time-dependent Hartree–Fock and density functional theories

(2008) Christine M. Isborn et al.   JOURNAL OF CHEMICAL PHYSICS

Application of the dressed time-dependent density functional theory for the excited states of linear polyenes

(2008) Grzegorz Mazur et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Energies of Low-Lying Excited States of Linear Polyenes

(2008) Ronald L. Christensen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Generation of Multiple Excitons in PbSe and CdSe Quantum Dots by Direct Photoexcitation: First-Principles Calculations on Small PbSe and CdSe Clusters

(2008) Christine M. Isborn et al.   Journal of Physical Chemistry C

Double excitations and state-to-state transition dipoles inπ−π∗excited singlet states of linear polyenes: Time-dependent density-functional theory versus multiconfigurational methods

(2008) Ivan A. Mikhailov et al.   PHYSICAL REVIEW A