相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Expeditious Stochastic Approach for MP2 Energies in Large Electronic Systems
Daniel Neuhauser et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Expeditious Stochastic Calculation of Random-Phase Approximation Energies for Thousands of Electrons in Three Dimensions
Daniel Neuhauser et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Communication: Monte Carlo calculation of the exchange energy
Roi Baer et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Expeditious Stochastic Calculation of Multiexciton Generation Rates in Semiconductor Nanocrystals
Roi Baer et al.
NANO LETTERS (2012)
Massively parallel density functional calculations for thousands of atoms: KKRnano
A. Thiess et al.
PHYSICAL REVIEW B (2012)
Near-field: A finite-difference time-dependent method for simulation of electrodynamics on small scales
Arunima Coomar et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Kohn-Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage
Elias Rudberg et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Electronic Structure via Potential Functional Approximations
Attila Cangi et al.
PHYSICAL REVIEW LETTERS (2011)
Efficient low-order scaling method for large-scale electronic structure calculations with localized basis functions
Taisuke Ozaki
PHYSICAL REVIEW B (2010)
Nonlocal orbital-free kinetic energy density functional for semiconductors
Chen Huang et al.
PHYSICAL REVIEW B (2010)
Towards a linear-scaling algorithm for electronic structure calculations with the tight-binding Korringa-Kohn-Rostoker Green function method
Rudolf Zeller
JOURNAL OF PHYSICS-CONDENSED MATTER (2008)
Order-N first-principles calculations with the CONQUEST code
M. J. Gillan et al.
COMPUTER PHYSICS COMMUNICATIONS (2007)
Using ONETEP for accurate and efficient O(N) density functional calculations
CK Skylaris et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2005)
Ab initio NMR spectra for molecular systems with a thousand and more atoms: A linear scaling method
C Ochsenfeld et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2004)
The SIESTA method for ab initio order-N materials simulation
JM Soler et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)