Search results for "many-body problems"

showing 2 items of 2 documents

The CC3 model : An iterative coupled cluster approach including connected triples

1997

An alternative derivation of many-body perturbation theory (MBPT) has been given, where a coupled cluster parametrization is used for the wave function and the method of undetermined Lagrange multipliers is applied to set up a variational coupled cluster energy expression. In this variational formulation, the nth-order amplitudes determine the energy to order 2n+1 and the nth-order multipliers determine the energy to order 2n+2. We have developed an iterative approximate coupled cluster singles, doubles, and triples model CC3, where the triples amplitudes are correct through second order and the singles amplitudes are treated without approximations due to the unique role of singles as appro…

PhysicsMany-body problemsIterative methodIterative methodsGeneral Physics and AstronomyRelaxation (iterative method)Function (mathematics)Perturbation theoryFull configuration interactionUNESCO::FÍSICA::Química físicaPhysics and Astronomy (all)Coupled clusterCoupled cluster calculationsPerturbation theory ; Many-body problems ; Coupled cluster calculations ; Iterative methods ; Wave functions ; Variational techniquesComputational chemistryPerturbation theoryPhysical and Theoretical ChemistryPhysics::Chemical PhysicsWave function:FÍSICA::Química física [UNESCO]ParametrizationWave functionsMathematical physicsVariational techniques
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Application of time-dependent many-body perturbation theory to excitation spectra of selected finite model systems

2016

In this thesis, an approximate method introduced to solve time-dependent many-body problems known as time-dependent many-body perturbation theory is studied. Many-body perturbation theory for interacting electrons and phonons is reviewed. In particular, the electron propagator G and an unconventional two-component phonon propagator, which satisfy coupled integral Dyson equations, are introduced. In practice, the associated integral kernels known as the electron Σ and phonon self-energies need to be approximated. The conserving approximations known as the Hartree (-Fock) and the first and second Born approximations, which respect the continuity equation between the electron density and curren…

numeeriset menetelmätmany-body problemsmany-body theoryspektroskopiaGreenin funktioGreen's functionmonen kappaleen teoriaelektronittime-dependent many-body perturbation theoryaikariippuva monihiukkashäiriöteoriaelectron-phonon interactionkiinteän olomuodon fysiikkakvanttimekaniikkaexcitation spectraapproksimointifononit
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