Computational Methods for Large Systems
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Published By John Wiley & Sons, Inc.

9780470930779, 9780470487884
Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Calculating the Raman and HyperRaman Spectra of Large Molecules and Molecules Interacting with Nanoparticles

2011 ◽  
pp. 493-514
Author(s):  
Nicholas Valley ◽  
Lasse Jensen ◽  
Jochen Autschbach ◽  
George C. Schatz
Keyword(s):  
Large Molecules

SIESTA: Properties and Applications

2011 ◽  
pp. 367-395
Author(s):  
Michael J. Ford

The Energy-Based Fragmentation Approach for Ab Initio Calculations of Large Systems

2011 ◽  
pp. 225-258 ◽  
Author(s):  
Wei Li ◽  
Weijie Hua ◽  
Tao Fang ◽  
Shuhua Li
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Large Systems

Large-Scale Plane-Wave-Based Density Functional Theory: Formalism, Parallelization, and Applications

2011 ◽  
pp. 77-116 ◽  
Author(s):  
Eric Bylaska ◽  
Kiril Tsemekhman ◽  
Niranjan Govind ◽  
Marat Valiev
Keyword(s):  
Density Functional Theory ◽  
Plane Wave ◽  
Density Functional ◽  
Large Scale ◽  
Functional Theory

scholarly journals Index

2011 ◽  
pp. 649-659

Molecular Spintronics

2011 ◽  
pp. 589-613
Author(s):  
Woo Youn Kim ◽  
Kwang S. Kim
Keyword(s):  
Molecular Spintronics
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