نتایج جستجو برای: energy method

تعداد نتایج: 2204853  

Journal: :Physical review. B, Condensed matter 1996
Srinivasan Ramasesha Krishnamurthy

We develop a novel multi-configurational Symmetrized Projector Quantum Monte Carlo (MSPQMC) method to calculate excited state properties of Hubbard models. We compare the MSPQMC results for finite Hubbard chains with exact results (where available) or with Density Matrix Renormalization Group (DMRG) results for longer chains. The energies and correlation functions of the excited states are in g...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه صنعتی امیرکبیر(پلی تکنیک تهران) - دانشکده مهندسی شیمی 1387

در این کار، مدل دوبعدی برای یک پیل سوختی غشای تبادل یونی توسعه داده شده است. مدل برای کل پیل سوختی صورت گرفته است که شامل لایه نفوذ گازی کاتدی، لایه نفوذ گازی آندی و غشا می باشد. این مدل دربردارنده انتقال جرم در لایه های نفوذ گازی، واکنش الکتروشیمیایی در لایه های کاتالیستی، انتقال بار و انتقال انرژی در کل قسمت های پیل سوختی می باشد. این معادلات حاکم با روش المان محدود حل شده اند. مدل ریاضی قا...

Journal: :The Journal of chemical physics 2011
S A Vitiello

Kinetic and potential energies of systems of (4)He atoms in the solid phase are computed at T = 0. Results at two densities of the liquid phase are presented as well. Calculations are performed by the multiweight extension to the diffusion Monte Carlo method that allows the application of the Hellmann-Feynman theorem in a robust and efficient way. This is a general method that can be applied in...

Journal: :Physical review. B, Condensed matter 1992
Zhang Runge

The ground states of quantum spin 1/2 XY ferromagnetic triangular and square systems are investigated with the Green's function Monte Carlo (GFMC) method. Simulations are performed on L L two-dimensional lattices with L up to 19. The long range orders as well as ground state energies are obtained for both lattices and are extrapolated to innnite system size. The long range order (LRO) is comput...

Journal: :The Journal of chemical physics 2014
M Motta D E Galli S Moroni E Vitali

The phaseless Auxiliary Field Quantum Monte Carlo (AFQMC) method provides a well established approximation scheme for accurate calculations of ground state energies of many-fermions systems. Here we address the possibility of calculating imaginary time correlation functions with the phaseless AFQMC. We give a detailed description of the technique and test the quality of the results for static p...

Journal: :Chemical communications 2011
Kazuki Nakamura Kenji Kanazawa Norihisa Kobayashi

We have demonstrated electroswitchable emission and coloration using a novel composite material containing luminescent europium(III) complex Eu(hfa)(3)(H(2)O)(2) and diheptyl viologen HV(2+). The photoluminescence of the Eu(III) complex was controlled by the electrochemical coloration of HV(2+)via intermolecular energy transfer mechanisms.

Journal: :Energies 2023

The regional energy system (RES) is a that consumes multiple forms of in the region and achieves coordinated efficient utilization resources. RES composed micro systems (MESs); however, due to mismatch resources different consumption within each MES, large amount clean wasted, MES has acquire extra energy. This significantly increases operation costs contributes environmental pollution. One pro...

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