搜索结果: 1-10 共查到“计算物理学 calculations”相关记录10条 . 查询时间(0.062 秒)
Validity of Viscous Core Correction Models for Self-Induced Velocity Calculations
Validity of Viscous Core Correction Models Self-Induced Velocity Calculations Computational Physics
2012/4/20
Viscous core correction models are used in free wake simulations to remove the infinite velocities at the vortex centreline. It will be shown that the assumption that these corrections converge to the...
Direct Minimization for Ensemble Electronic Structure Calculations
Direct Minimization Ensemble Electronic Structure Calculations Computational Physics
2012/4/19
We consider a direct optimization approach for ensemble density functional theory electronic structure calculations. The update operator for the electronic orbitals takes the structure of the Stiefel ...
Direct minimization of electronic structure calculations with Householder reflections
Direct minimization of electronic structure calculations Householder reflections Computational Physics
2012/4/19
We consider a minimization scheme based on the Householder transport operator for the Grassman manifold, where a point on the manifold is represented by a m x n matrix with orthonormal columns. In par...
Global Calculations of Density Waves and Gap Formation in Protoplanetary Disks using a Moving Mesh
Global Calculations Density Waves Gap Formation Protoplanetary Disks Moving Mesh
2012/2/29
We calculate the global quasi-steady state of a thin disk perturbed by a low-mass protoplanet orbiting at a fixed radius using extremely high-resolution numerical integrations of Euler's equations in ...
Lagrange-mesh calculations and Fourier transform
Lagrange-mesh calculations Fourier transform
2011/9/1
The Lagrange-mesh method is a very accurate procedure to compute eigenvalues and eigenfunctions of a two-body quantum equation. The method requires only the evaluation of the potential at some mesh po...
Self-consistent Continuum Random Phase Approximation calculations with finite-range interactions
Self-consistent Continuum Random Phase Approximation calculations finite-range interactions
2011/1/7
We present a technique which allows us to solve the Random Phase Approximation equations
with finite-range interactions and treats the continuum part of the excitation spectrum without
approximation...
First-principles GW calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications
First-principles GW calculations for fullerenes fullerenes porphyrins phtalocyanine
2010/11/23
We evaluate the performances of ab initio GW calculations for the ionization energies and HOMOLUMOgaps of thirteen gas phase molecules of interest for organic electronic and photovoltaic applications,...
Towards Microscopic Ab Initio Calculations of Astrophysical S-Factors
Microscopic Ab Initio Calculations Astrophysical S-Factors
2011/1/6
Low energy capture cross sections are calculated within a microscopic many-body approach
using an effective Hamiltonian derived from the Argonne V18 potential. The dynamics is treated
within Fermion...
Parallelizing the QUDA Library for Multi-GPU Calculations in Lattice Quantum Chromodynamics
Parallelizing the QUDA Library Multi-GPU Calculations Lattice Quantum Chromodynamics
2011/1/13
Graphics Processing Units (GPUs) are having a transformational effect on numerical lattice quantum chromodynamics (LQCD) calculations of importance in nuclear and particle physics.
Transport calculations in complex materials: A comparison of the Kubo formula, the Kubo-Greenwood formula and the microscopic response method
Transport calculations complex materials Kubo-Greenwood formula microscopic response method
2010/11/18
Recently we have introduced the microscopic response method (MRM) to compute the conductivity
and Hall mobility for complex system with topological and thermal disorder, which is more
convenient tha...