نتایج جستجو برای: self consistent approximation model

تعداد نتایج: 2894399  

Journal: :The Journal of chemical physics 2009
Adrian Stan Nils Erik Dahlen Robert van Leeuwen

We perform GW calculations on atoms and diatomic molecules at different levels of self-consistency and investigate the effects of self-consistency on total energies, ionization potentials, and particle number conservation. We further propose a partially self-consistent GW scheme in which we keep the correlation part of the self-energy fixed within the self-consistency cycle. This approximation ...

2008
J. J. Deisz

We report on a fully self-consistent determination of a phase transition to a superconducting state in a conserving approximation. The transition temperature calculated for a two-dimensional Hubbard model with an attractive interaction in the fluctuation exchange approximation agrees with quantum Monte Carlo calculations. The temperature dependences of the superfluid density and of the specific...

جلالی اسدآبادی , سعید, فتحی , آرش, گشتاسبی راد , محمد,

  The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interactions on the magnetic structure in USb2 compound. The investigation were performed applying the so called “band corr...

Journal: :The Journal of chemical physics 2015
Niko Säkkinen Yang Peng Heiko Appel Robert van Leeuwen

We study ground-state properties of a two-site, two-electron Holstein model describing two molecules coupled indirectly via electron-phonon interaction by using both exact diagonalization and self-consistent diagrammatic many-body perturbation theory. The Hartree and self-consistent Born approximations used in the present work are studied at different levels of self-consistency. The governing e...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تبریز 0

a semi-empirical mathematical model for predicting physical part of ignition delay period in the combustion of direct - injection diesel engines with swirl is developed . this model based on a single droplet evaporation model . the governing equations , namely , equations of droplet motion , heat and mass transfer were solved simultaneously using a rung-kutta step by step unmerical method . the...

2008
Guangye Chen Philip Varghese David Goldstein Roger Bengtson Prashanth Kothnur Xiaohui Yuan Shankar Mahadevan Thomas Deconinck Boris Breizman

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