Analytical gradients for the coupled-cluster method

This publication has 29 references indexed in Scilit:

• Second and third derivatives of variational energy expressions: Application to multiconfigurational self-consistent field wave functions
  The Journal of Chemical Physics, 1983
• Analytic force constants for post-Hartree–Fock wave functions: The simplest case
  The Journal of Chemical Physics, 1983
• Generalization of analytic configuration interaction (CI) gradient techniques for potential energy hypersurfaces, including a solution to the coupled perturbed Hartree–Fock equations for multiconfiguration SCF molecular wave functions
  The Journal of Chemical Physics, 1982
• Derivative studies in configuration–interaction theory
  The Journal of Chemical Physics, 1980
• Analytic gradients from correlated wave functions via the two-particle density matrix and the unitary group approach
  The Journal of Chemical Physics, 1980
• Energy gradient in a multi-configurational SCF formalism and its application to geometry optimization of trimethylene diradicals
  Chemical Physics Letters, 1979
• A response-function approach to the direct calculation of the transition-energy in a multiple-cluster expansion formalism
  Chemical Physics, 1979
• The intrinsic reaction coordinate. An a b i n i t i o calculation for HNC→HCN and H−+CH4→CH4+H−
  The Journal of Chemical Physics, 1977
• Efficient determination and characterization of transition states using ab-initio methods
  Chemical Physics Letters, 1977
• Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
  Molecular Physics, 1969