Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

An Eigenvalue Approach to Coupled Cluster Theory

The coupled cluster Schrodinger equation, which leads to the energy and amplitude expressions given in Eqs. [50] and [51], may be written as [Pg.51]

Like Eq. [60], this equation represents an eigenvalue problem ° in which the similarity-transformed Hamiltonian, H = is used in place of the bare [Pg.51]

As a result of the asymmetry of H, the right-hand eigenvalue problem given in Eq. [61] is different from the left-hand eigenvalue problem. [Pg.52]

The computed energy, E, however, is the same for both equations. In Eq. [65], the left eigenvector, (5 l, may be written in terms of a cluster operator, X, acting on the reference from the right, namely, [Pg.52]

The operator may be defined in analogy to the cluster operator, T, as a sum of of cluster operators. [Pg.52]


See other pages where An Eigenvalue Approach to Coupled Cluster Theory is mentioned: [Pg.51]   


SEARCH



Cluster approach

Cluster coupled

Coupled cluster approach

Coupled clustered theory

Coupled-cluster theory

Coupling theory

Eigenvalue

© 2024 chempedia.info