Crossref Cited-by Linking logo

Collect. Czech. Chem. Commun. 2005, 70, 1082-1108

A Case Study of State-Specific and State-Averaged Brueckner Equation-of-Motion Coupled-Cluster Theory: The Ionic-Covalent Avoided Crossing in Lithium Fluoride

Marcel Nooijen* and K. R. Shamasundar

Department of Chemistry, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada

Crossref Cited-by Linking

  • Chattopadhyay Sudip: Description of quasidegenerate electronic states exhibiting avoided crossing. Molecular Physics 2018, 116, 2343. <>
  • Nooijen Marcel, Demel Ondřej, Datta Dipayan, Kong Liguo, Shamasundar K. R., Lotrich V., Huntington Lee M., Neese Frank: Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure. The Journal of Chemical Physics 2014, 140. <>
  • Shen Jun, Piecuch Piotr: Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods. Chemical Phys 2011. <>
  • Datta Dipayan, Kong Liguo, Nooijen Marcel: A state-specific partially internally contracted multireference coupled cluster approach. The Journal of Chemical Physics 2011, 134. <>
  • Angeli Celestino: On the nature of the π → π* ionic excited states: The V state of ethene as a prototype. J Comput Chem 2009, 30, 1319. <>
  • Kong Liguo, Shamasundar K. R., Demel Ondrej, Nooijen Marcel: State specific equation of motion coupled cluster method in general active space. The Journal of Chemical Physics 2009, 130. <>
  • Kong Liguo, Nooijen Marcel: Study of energetics of end‐on and side‐on peroxide coordination in ligated Cu2O2 models with State‐Specific Equation of Motion Coupled Cluster Method. Int J of Quantum Chemistry 2008, 108, 2097. <>
  • Demel Ondřej, Shamasundar K. R., Kong Liguo, Nooijen Marcel: Application of Double Ionization State-Specific Equation of Motion Coupled Cluster Method to Organic Diradicals. J. Phys. Chem. A 2008, 112, 11895. <>
  • Zgid Dominika, Nooijen Marcel: The density matrix renormalization group self-consistent field method: Orbital optimization with the density matrix renormalization group method in the active space. The Journal of Chemical Physics 2008, 128. <>
  • Chattopadhyay Sudip, Chaudhuri Rajat K., Mahapatra Uttam Sinha: Application of improved virtual orbital based multireference methods to N[sub 2], LiF, and C[sub 4]H[sub 6] systems. J Chem Phys 2008, 129, 244108. <>