Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics
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Published By Springer Netherlands

9789048128525, 9789048128532

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Fragmentation Selection Strategies in Linear Scaling Methods

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics ◽

10.1007/978-90-481-2853-2_7 ◽

2011 ◽

pp. 147-156 ◽

Cited By ~ 5

Author(s):

Zsolt Szekeres ◽

Paul G. Mezey

Keyword(s):

Linear Scaling ◽

Selection Strategies ◽

Scaling Methods

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The Linear Scaling Semiempirical LocalSCF Method and the Variational Finite LMO Approximation

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics ◽

10.1007/978-90-481-2853-2_15 ◽

2011 ◽

pp. 409-437 ◽

Cited By ~ 2

Author(s):

Artur Panczakiewicz ◽

Victor M. Anisimov

Keyword(s):

Linear Scaling

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Elongation Method: Towards Linear Scaling for Electronic Structure of Random Polymers and other Quasilinear Materials

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics ◽

10.1007/978-90-481-2853-2_9 ◽

2011 ◽

pp. 175-198 ◽

Cited By ~ 1

Author(s):

Feng Long Gu ◽

Bernard Kirtman ◽

Yuriko Aoki

Keyword(s):

Electronic Structure ◽

Linear Scaling ◽

Elongation Method

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Approximations of Long-Range Interactions in Fragment-Based Quantum Chemical Approaches

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics ◽

10.1007/978-90-481-2853-2_8 ◽

2011 ◽

pp. 157-173 ◽

Cited By ~ 1

Author(s):

Simon M. Eckard ◽

Andrea Frank ◽

Ionut Onila ◽

Thomas E. Exner

Keyword(s):

Long Range ◽

Quantum Chemical ◽

Long Range Interactions

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Linear Scaling Methods Using Additive Fuzzy Density Fragmentation

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics ◽

10.1007/978-90-481-2853-2_6 ◽

2011 ◽

pp. 129-146 ◽

Cited By ~ 5

Author(s):

Paul G. Mezey

Keyword(s):

Linear Scaling ◽

Scaling Methods

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Divide-and-Conquer Approaches to Quantum Chemistry: Theory and Implementation

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics ◽

10.1007/978-90-481-2853-2_5 ◽

2011 ◽

pp. 97-127 ◽

Cited By ~ 20

Author(s):

Masato Kobayashi ◽

Hiromi Nakai

Keyword(s):

Quantum Chemistry ◽

Divide And Conquer

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Perturbative Approximations to Avoid Matrix Diagonalization

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics ◽

10.1007/978-90-481-2853-2_4 ◽

2011 ◽

pp. 83-95 ◽

Cited By ~ 1

Author(s):

Péter R. Surján ◽

Ágnes Szabados

Keyword(s):

Matrix Diagonalization

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Linear Scaling Second Order Møller Plesset Perturbation Theory

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics ◽

10.1007/978-90-481-2853-2_3 ◽

2011 ◽

pp. 65-82 ◽

Cited By ~ 3

Author(s):

Svein Saebø

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Linear Scaling ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Local Approximations for an Efficient and Accurate Treatment of Electron Correlation and Electron Excitations in Molecules

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics ◽

10.1007/978-90-481-2853-2_14 ◽

2011 ◽

pp. 345-407 ◽

Cited By ~ 22

Author(s):

Tatiana Korona ◽

Daniel Kats ◽

Martin Schütz ◽

Thomas B. Adler ◽

Yu Liu ◽

...

Keyword(s):

Electron Correlation ◽

Local Approximations ◽

Accurate Treatment ◽

Electron Excitations

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Molecular Tailoring: An Art of the Possible for Ab Initio Treatment of Large Molecules and Molecular Clusters

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics ◽

10.1007/978-90-481-2853-2_10 ◽

2011 ◽

pp. 199-225 ◽

Cited By ~ 8

Author(s):

Anuja P. Rahalkar ◽

Sachin D. Yeole ◽

V. Ganesh ◽

Shridhar R. Gadre

Keyword(s):

Ab Initio ◽

Molecular Clusters ◽

Large Molecules ◽

Molecular Tailoring

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Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and PhysicsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

Fragmentation Selection Strategies in Linear Scaling Methods

The Linear Scaling Semiempirical LocalSCF Method and the Variational Finite LMO Approximation

Elongation Method: Towards Linear Scaling for Electronic Structure of Random Polymers and other Quasilinear Materials

Approximations of Long-Range Interactions in Fragment-Based Quantum Chemical Approaches

Linear Scaling Methods Using Additive Fuzzy Density Fragmentation

Divide-and-Conquer Approaches to Quantum Chemistry: Theory and Implementation

Perturbative Approximations to Avoid Matrix Diagonalization

Linear Scaling Second Order Møller Plesset Perturbation Theory

Local Approximations for an Efficient and Accurate Treatment of Electron Correlation and Electron Excitations in Molecules

Molecular Tailoring: An Art of the Possible for Ab Initio Treatment of Large Molecules and Molecular Clusters

Challenges and Advances in Computational Chemistry and Physics - Linear-Scaling Techniques in Computational Chemistry and Physics
Latest Publications