Elongation method with cutoff technique for linear SCF scaling

Jacek Korchowiec; Feng Long Gu; Akira Imamura; Bernard Kirtman; Yuriko Aoki

doi:10.1002/qua.20448

Elongation method with cutoff technique for linear SCF scaling

International Journal of Quantum Chemistry ◽

10.1002/qua.20448 ◽

2005 ◽

Vol 102 (5) ◽

pp. 785-794 ◽

Cited By ~ 38

Author(s):

Jacek Korchowiec ◽

Feng Long Gu ◽

Akira Imamura ◽

Bernard Kirtman ◽

Yuriko Aoki

Keyword(s):

Elongation Method

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A density functional elongation method for the theoretical synthesis of aperiodic polymers

International Journal of Quantum Chemistry ◽

10.1002/qua.560520202 ◽

1994 ◽

Vol 52 (2) ◽

pp. 267-280 ◽

Cited By ~ 15

Author(s):

Yuriko Aoki ◽

S�ndor Suhai ◽

Akira Imamura

Keyword(s):

Density Functional ◽

Elongation Method ◽

Theoretical Synthesis

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Evaluation of Nonlinear Susceptibilities of 3-Methyl-4-nitropyridine 1-oxide Crystal: An Application of the Elongation Method to Nonlinear Optical Properties

International Conference of Computational Methods in Sciences and Engineering 2004 (ICCMSE 2004) ◽

10.1201/9780429081385-195 ◽

2019 ◽

pp. 779-782

Author(s):

Feng Long Gu ◽

Benoît Champagne ◽

Yuriko Aoki

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Elongation Method ◽

Oxide Crystal

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Elongation Method at Semi-empirical and ab initio Levels for Large Systems

International Conference of Computational Methods in Sciences and Engineering 2004 (ICCMSE 2004) ◽

10.1201/9780429081385-194 ◽

2019 ◽

pp. 775-778

Author(s):

Y. Aoki ◽

F.L. Gu ◽

J. Korchowiec

Keyword(s):

Ab Initio ◽

Elongation Method ◽

Large Systems ◽

Semi Empirical

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Seismic and flood-resistance capacity promotion and service life elongation method for existing bridge by employing substructure replacement technique

Life-Cycle of Civil Engineering Systems - Life-Cycle of Structural Systems ◽

10.1201/b17618-209 ◽

2014 ◽

pp. 1411-1418

Author(s):

Dyi-Wei Chang ◽

Dzong-Chwang Dzeng ◽

Chih-Pin Chang ◽

Ming-Yi Yu

Keyword(s):

Service Life ◽

Elongation Method ◽

Flood Resistance ◽

Replacement Technique

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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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The Elongation Method

SpringerBriefs in Molecular Science - Calculations on nonlinear optical properties for large systems ◽

10.1007/978-3-319-11068-4_4 ◽

2014 ◽

pp. 43-65 ◽

Cited By ~ 1

Author(s):

Feng Long Gu ◽

Yuriko Aoki ◽

Michael Springborg ◽

Bernard Kirtman

Keyword(s):

Elongation Method

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Electronic structures and nonlinear optical properties of supramolecular associations of benzo-2,1,3-chalcogendiazoles by the elongation method

Theoretical Chemistry Accounts ◽

10.1007/s00214-009-0576-2 ◽

2009 ◽

Vol 125 (3-6) ◽

pp. 453-460 ◽

Cited By ~ 16

Author(s):

Anna Pomogaeva ◽

Feng Long Gu ◽

Akira Imamura ◽

Yuriko Aoki

Keyword(s):

Optical Properties ◽

Electronic Structures ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Elongation Method ◽

Supramolecular Associations

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Application of the elongation method to nonlinear optical properties: finite field approach for calculating static electric (hyper)polarizabilities

Molecular Physics ◽

10.1080/0026897031000085056 ◽

2003 ◽

Vol 101 (10) ◽

pp. 1487-1494 ◽

Cited By ~ 24

Author(s):

FENG LONG GU ◽

YURIKO AOKI ◽

AKIRA IMAMURA ◽

DAVID M. BISHOP ◽

BERNARD KIRTMAN

Keyword(s):

Optical Properties ◽

Finite Field ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Field Approach ◽

Elongation Method

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Nonlinear optical properties of push-pull systems containing [2.2]paracyclophane: Theoretical study via elongation method

Chemical Physics Letters ◽

10.1016/j.cplett.2020.137760 ◽

2020 ◽

Vol 755 ◽

pp. 137760

Author(s):

Mariia V. Ivonina ◽

Yuuichi Orimoto ◽

Yuriko Aoki

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Theoretical Study ◽

Nonlinear Optical Properties ◽

Elongation Method ◽

Pull Systems

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Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers

Journal of Computational Chemistry ◽

10.1002/jcc.26389 ◽

2020 ◽

Vol 41 (25) ◽

pp. 2203-2212

Author(s):

Denis Mashkovtsev ◽

Wataru Mizukami ◽

Jacek Korchowiec ◽

Anna Stachowicz‐Kuśnierz ◽

Yuriko Aoki

Keyword(s):

Elongation Method ◽

Electrostatic Embedding

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