A new implementation of the full CCSDT model for molecular electronic structure

This publication has 32 references indexed in Scilit:

• Equilibrium structures and vibrational frequencies for diatomic molecules. An assessment of the CCSDT-1 method, incorporating coupled-cluster single, double, and linearized triple excitations
  Chemical Physics Letters, 1988
• A study of the Be2 potential curve using the full (CCSDT) coupled-cluster method: The importance of T4 clusters
  The Journal of Chemical Physics, 1988
• Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: A comparison with configuration interaction (CCSD,CISDT, andCISDTQ) results for the harmonic vibrational frequencies, infrared intensities, dipole moment, and inversion barrier of ammonia
  International Journal of Quantum Chemistry, 1987
• Mechanism of the photodissociation of s-tetrazine: a unimolecular triple dissociation
  Journal of the American Chemical Society, 1986
• Erratum: Towards a full CCSDT model for electron correlation [J. Chem. Phys. 8 3, 4041 (1985)]
  The Journal of Chemical Physics, 1986
• Coupled-cluster approach in electronic structure theory of molecules
  Physics Reports, 1982
• A full coupled-cluster singles and doubles model: The inclusion of disconnected triples
  The Journal of Chemical Physics, 1982
• An electron pair operator approach to coupled cluster wave functions. Application to He2, Be2, and Mg2 and comparison with CEPA methods
  The Journal of Chemical Physics, 1981
• Electron correlation theories and their application to the study of simple reaction potential surfaces
  International Journal of Quantum Chemistry, 1978
• Many-fermion theory in expS- (or coupled cluster) form
  Physics Reports, 1978