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

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 ◽

Long Range ◽

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 ◽

Cited By ~ 4

Author(s):

Ben J. Powell

Keyword(s):

Condensed Matter ◽

Low Energy ◽

Condensed Matter Physics

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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 ◽

Cited By ~ 2

Author(s):

Michael D. Towler

Keyword(s):

Monte Carlo ◽

Schrödinger Equation ◽

Quantum Monte Carlo ◽

Schrodinger Equation ◽

System Size ◽

The Many

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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 ◽

Cited By ~ 3

Author(s):

Wei Li ◽

Weijie Hua ◽

Tao Fang ◽

Shuhua Li

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Large Systems

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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 ◽

Cited By ~ 16

Author(s):

Eric Bylaska ◽

Kiril Tsemekhman ◽

Niranjan Govind ◽

Marat Valiev

Keyword(s):

Density Functional Theory ◽

Plane Wave ◽

Density Functional ◽

Large Scale ◽

Functional Theory

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MNDO-Like Semiempirical Molecular Orbital Theory and Its Application to Large Systems

Computational Methods for Large Systems ◽

10.1002/9780470930779.ch8 ◽

2011 ◽

pp. 259-286 ◽

Cited By ~ 18

Author(s):

Timothy Clark ◽

James J. P. Stewart

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Large Systems ◽

Semiempirical Molecular Orbital

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Index

Computational Methods for Large Systems ◽

10.1002/9780470930779.index ◽

2011 ◽

pp. 649-659

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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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