Computational Methods for Large Systems
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21

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4

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Published By John Wiley & Sons, Inc.

9780470930779, 9780470487884

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

SIESTA: Properties and Applications

Computational Methods for Large Systems ◽

10.1002/9780470930779.ch11 ◽

2011 ◽

pp. 367-395

Author(s):

Michael J. Ford

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Quantum Monte Carlo, Or, Solving the Many-Particle Schrödinger Equation Accurately While Retaining Favorable Scaling with System Size

Computational Methods for Large Systems ◽

10.1002/9780470930779.ch4 ◽

2011 ◽

pp. 117-166 ◽

Author(s):

Michael D. Towler

Keyword(s):

Monte Carlo ◽

Schrödinger Equation ◽

Quantum Monte Carlo ◽

Schrodinger Equation ◽

System Size ◽

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

Computational Methods for Large Systems ◽

10.1002/9780470930779.ch15 ◽

2011 ◽

pp. 493-514

Author(s):

Nicholas Valley ◽

Lasse Jensen ◽

Jochen Autschbach ◽

George C. Schatz

Keyword(s):

Large Molecules

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Evaluation of Nonlinear Optical Properties of Large Conjugated Molecular Systems by Long-Range-Corrected Density Functional Theory

Computational Methods for Large Systems ◽

10.1002/9780470930779.ch14 ◽

2011 ◽

pp. 475-491

Author(s):

Hideo Sekino ◽

Akihide Miyazaki ◽

Jong-Won Song ◽

Kimihiko Hirao

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Functional Theory ◽

Molecular Systems

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Introduction to Effective Low-Energy Hamiltonians in Condensed Matter Physics and Chemistry

Computational Methods for Large Systems ◽

10.1002/9780470930779.ch10 ◽

2011 ◽

pp. 309-366 ◽

Author(s):

Ben J. Powell

Keyword(s):

Condensed Matter ◽

Condensed Matter Physics

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

Computational Methods for Large Systems ◽

10.1002/9780470930779.ch7 ◽

2011 ◽

pp. 225-258 ◽

Author(s):

Wei Li ◽

Weijie Hua ◽

Tao Fang ◽

Shuhua Li

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

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

Computational Methods for Large Systems ◽

10.1002/9780470930779.ch3 ◽

2011 ◽

pp. 77-116 ◽

Author(s):

Eric Bylaska ◽

Kiril Tsemekhman ◽

Niranjan Govind ◽

Marat Valiev

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Large Scale ◽

Functional Theory

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Molecular Spintronics

Computational Methods for Large Systems ◽

10.1002/9780470930779.ch18 ◽

2011 ◽

pp. 589-613

Author(s):

Woo Youn Kim ◽

Kwang S. Kim

Keyword(s):

Molecular Spintronics

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SIESTA: A Linear-Scaling Method for Density Functional Calculations

Computational Methods for Large Systems ◽

10.1002/9780470930779.ch2 ◽

2011 ◽

pp. 45-75 ◽

Author(s):

Julian D. Gale

Keyword(s):

Density Functional Calculations ◽

Density Functional ◽

Linear Scaling ◽

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Index

Computational Methods for Large Systems ◽

10.1002/9780470930779.index ◽

2011 ◽

pp. 649-659

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