CCDoppelbinding

CCDoppelbinding, also known as CCDB, is a technique used in the field of computational chemistry to study the electronic structure of molecules. It is an abbreviation for "Coupled Cluster Doubles with Perturbative Triples," and it is a type of post-Hartree-Fock method. The method is based on the coupled cluster theory, which is a powerful approach for describing the correlation energy of a system of electrons.

The CCDoppelbinding method is particularly useful for studying systems where the correlation energy is significant, such as in the case of molecules with multiple bonds or in the presence of strong electron-electron interactions. It is also commonly used in the study of transition metal complexes, where the correlation energy can be particularly large.

The CCDoppelbinding method is implemented in many quantum chemistry software packages, such as Gaussian, Molpro, and Q-Chem. It is typically used in conjunction with other methods, such as density functional theory (DFT), to provide a more accurate description of the electronic structure of a molecule.

In summary, CCDoppelbinding is a powerful and widely used method in computational chemistry for studying the electronic structure of molecules. It is based on the coupled cluster theory and is particularly useful for studying systems where the correlation energy is significant. It is implemented in many quantum chemistry software packages and is typically used in conjunction with other methods to provide a more accurate description of the electronic structure of a molecule.