Computing Letters
ISSN :
1574-0404
Volumes & issues:
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Dynamic Polarizability Functions of the Hydrogen Molecule
- Authors: M.A. Buldakov; V.N. Cherepanov; N.S. Nagornova
- Source: Volume 3, Issue 2, pp 115 –130
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Computation of Optical Rotation using Time–Dependent Density Functional Theory
- Author: J. Autschbach
- Source: Volume 3, Issue 2, pp 131 –150
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The Account of Molecular Multipole Moments in the Study of the Effect of Locally Anisotropic Polarizable Deformable Medium on the Nonlinear Optical Response of Incorporated Chromophore
- Author: Marina Yu. Balakina
- Source: Volume 3, Issue 2, pp 151 –162
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First-Principles Langevin Molecular Dynamics Studies of Metallic and Semiconductor Clusters: GGA versus LDA Results
- Author: L. C. Balbás
- Source: Volume 3, Issue 2, pp 163 –174
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On the Many-Body Components of Interaction-Induced Electric Properties: Linear Fluoroacetylene Trimer as a Case Study.
- Authors: B. Skwara; A. Zawada; W. Bartkowiak
- Source: Volume 3, Issue 2, pp 175 –182
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Response Properties of 2-Electron 2-D Quantum Dots: Triplet Versus Singlet.
- Authors: Manas Ghosh; Ram Kuntal Hazra; S. P. Bhattacharyya
- Source: Volume 3, Issue 2, pp 183 –191
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Theoretical Evaluation of the Faraday Effect in Organic Compounds
- Authors: Edith Botek; Benoît Champagne; Palash Gangopadhyay; André Persoons; Thierry Verbiest
- Source: Volume 3, Issue 2, pp 193 –200
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DFT Optimized All-Electron Basis Sets for Gradient Corrected Functionals: 4d Transition Metals
- Authors: Patrizia Calaminici; Roberto Mejia-Olvera
- Source: Volume 3, Issue 2, pp 201 –213
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The Dipole Polarizability of Uracil in Aqueous Solution. A Sequential Monte Carlo/Quantum Mechanics Study
- Authors: V. Ludwig; S. Canuto
- Source: Volume 3, Issue 2, pp 215 –222
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Electronic Structure Principles in Static and Dynamic Situations
- Authors: P. K. Chattaraj; D. R. Roy; S. Giri
- Source: Volume 3, Issue 2, pp 223 –230
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Parallelization Efficiency of the Elongation Method and its Application to NLO Design for Urea Crystal
- Authors: Shin-ichi Ohnishi; Feng Long Gu; Kazunari Naka; Yuriko Aoki
- Source: Volume 3, Issue 2, pp 231 –241
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Ab Initio Studies of the Dipole Moments and Polarizabilities of p-nitroaniline and Related Molecules in their Ground and Excited States.
- Authors: Alan Hinchliffe; Mohamed Efhil; Humberto J Soscún
- Source: Volume 3, Issue 2, pp 243 –249
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Static Polarizabilities (α) and Second Hyperpolarizabilities (γ) of One-Dimensional Hydrogen-Bonded Formamides
- Authors: Ryohei Kishi; Shin-Ya Umezaki; Akihito Takebe; Masahito Nate; Hideaki Takahashi; Masayoshi Nakano
- Source: Volume 3, Issue 2, pp 251 –256
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Theoretical Modeling of Cation-π interactions in Various Environments: Case Study Using Benzene…Ammonium and Benzene…Tetramethyl- Ammonium Ion Interactions as Model Systems
- Authors: D. Majumdar; J. Leszczynski
- Source: Volume 3, Issue 2, pp 257 –265
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Partial Least Squares Prediction of the Hyperpolarizabilities of Aniline Octamer Derivatives
- Authors: M.B. da S. Costa; A.E. de A. Machado; B. Barros Neto
- Source: Volume 3, Issue 2, pp 267 –276
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On the Efficient Selection of Frequencies for Interpolating Dynamic Multipole Polarizabilities
- Authors: G. Figari; V. Magnasco
- Source: Volume 3, Issue 2, pp 277 –284
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Origin of the Bulk Effect on the NLO Property of P-terphenyl Microcrystalline Structure – Computer Simulations
- Author: M. Makowska-Janusik
- Source: Volume 3, Issue 2, pp 285 –293
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Average Low and High Momenta in Singly-Excited 1snl States of the He Atom
- Authors: Hisashi Matsuyama; Toshikatsu Koga
- Source: Volume 3, Issue 2, pp 295 –300
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Hartree-Fock Calculations of Optical Hyperpolarizability of Molecules, Fullerenes, and Carbon Nanotubes Interacting With Ionic Crystal Surface
- Author: M. M. Mestechkin
- Source: Volume 3, Issue 2, pp 301 –313
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Homogenoues Solvent Models for Linear and Nonlinear Optical Properties
- Author: Kurt V. Mikkelsen
- Source: Volume 3, Issue 2, pp 315 –331
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