Elongation method and supermolecule approach for the calculation of nonlinear susceptibilities. Application to the 3-Methyl-4-Nitropyridine 1-Oxide and 2-Methyl-4-Nitroaniline crystals-Reference-Cited by-同舟云学术

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Elongation method and supermolecule approach for the calculation of nonlinear susceptibilities. Application to the 3-Methyl-4-Nitropyridine 1-Oxide and 2-Methyl-4-Nitroaniline crystals

Published:2006-12-12 Issue:1-4 Volume:6 Page:171-188
ISSN:1875-8983
Container-title:Journal of Computational Methods in Sciences and Engineering
language:
Short-container-title:JCM

Author:

Gu Feng Long¹,Guillaume Maxime²,Botek Edith²,Champagne Benoît²,Castet Frédéric³,Ducasse Laurent³,Aoki Yuriko¹⁴

Affiliation:

1. Group, PRESTO, Japan Science and Technology Agency (JST), Kawaguchi Center Building, Honcho 4-1-8, Kawaguchi, Saitama, 332-0012, Japan

2. Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires Notre-Dame de la Paix, 61 rue de Bruxelles, B-5000 Namur, Belgium

3. Laboratoire de Physico-Chimie Moléculaire, UMR 5803 CNRS, Université Bordeaux I, Talence Cedex 33405, France

4. Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasuga-Park, Fukuoka, 816-8580, Japan

Publisher

IOS Press

Subject

Computational Mathematics,Computer Science Applications,General Engineering

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Highly accurate O(N) method for delocalized systems;Theoretical Chemistry Accounts;2011-09-10

2. Theoretical investigation on the linear and nonlinear susceptibilities of urea crystal;The Journal of Chemical Physics;2008-06-28

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