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Coupled-cluster wave functions, derivatives electronic energy

Frequency-dependent response functions can only be computed within approximate electronic structure models that allow definition of the time-dependent expectation value. Hence, frequency-dependent response functions are not defined for approximate methods that provide an energy but no wave function. Such methods include MoUer-Plesset (MP) perturbation theory, multiconfigurational second-order perturbation theory (CASPT2), and coupled cluster singles and doubles with non-iterative perturbative triples [CCSD(T)]. As we shall see later, it is possible to derive static response functions for such methods. [Pg.138]


See other pages where Coupled-cluster wave functions, derivatives electronic energy is mentioned: [Pg.167]    [Pg.167]    [Pg.320]    [Pg.45]    [Pg.510]    [Pg.84]    [Pg.376]    [Pg.17]    [Pg.66]    [Pg.66]    [Pg.98]    [Pg.124]    [Pg.1101]    [Pg.97]    [Pg.644]    [Pg.17]    [Pg.167]    [Pg.31]    [Pg.129]   
See also in sourсe #XX -- [ Pg.210 , Pg.211 ]




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Cluster coupled

Cluster function

Coupled cluster wave function

Coupled-cluster energy

Coupled-cluster wave functions, derivatives

Coupled-cluster wave functions, derivatives energy

Couplings functions

Derivative couplings

Derivative function

Derivative, energy

Derivative, energy function

Derivatives electronic energy

Derivatives wave functions

Electron clusters

Electron coupled

Electron coupling

Electron functionalization

Electronic coupling

Electronic energy coupled-cluster waves functions

Electronic energy wave functions

Electronic wave function

Function derived

Wave functions energy

Waves electrons

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