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Electric and Magnetic Properties of Atoms and Molecules: A special issue in honour of Professor A.D.Buckingham

Computing Letters ◽

10.1163/157404007782913264 ◽

2007 ◽

Vol 3 (2) ◽

pp. i-iv ◽

Cited By ~ 1

Author(s):

Papadopoulos ◽

Champagne ◽

Maroulis

Keyword(s):

Magnetic Properties ◽

Special Issue ◽

Atoms And Molecules

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Theoretical Evaluation of the Faraday Effect in Organic Compounds

Computing Letters ◽

10.1163/157404007782913156 ◽

2007 ◽

Vol 3 (2) ◽

pp. 193-200 ◽

Cited By ~ 3

Author(s):

Edith Botek ◽

Benoît Champagne ◽

André Persoons ◽

Palash Gangopadhyay ◽

Thierry Verbiest

Keyword(s):

Organic Compounds ◽

Faraday Effect ◽

Theoretical Evaluation

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Removing extra frontier parameters in QM/MM methods : a tentative with the Local Self-Consistent Field approach

Computing Letters ◽

10.1163/157404007782913309 ◽

2007 ◽

Vol 3 (2) ◽

pp. 473-486 ◽

Cited By ~ 6

Author(s):

Loos ◽

Assfeld ◽

Fornili ◽

Sironi

Keyword(s):

Field Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Real Time Dynamics of Hole Propagation in Strongly Correlated Conjugated Molecular Chains: A time-dependent DMRG Study

Computing Letters ◽

10.1163/157404007782913219 ◽

2007 ◽

Vol 3 (2) ◽

pp. 457-472 ◽

Cited By ~ 4

Author(s):

Tirthankar Dutta ◽

Ramasesha

Keyword(s):

Real Time ◽

Time Dependent ◽

Strongly Correlated ◽

Time Dynamics

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Homogenoues Solvent Models for Linear and Nonlinear Optical Properties

Computing Letters ◽

10.1163/157404007782913192 ◽

2007 ◽

Vol 3 (2) ◽

pp. 315-331

Author(s):

Kurt Mikkelsen

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Solvent Models ◽

Linear And Nonlinear

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DFT Optimized All-Electron Basis Sets for Gradient Corrected Functionals: 4d Transition Metals

Computing Letters ◽

10.1163/157404007782913318 ◽

2007 ◽

Vol 3 (2) ◽

pp. 201-213 ◽

Cited By ~ 1

Author(s):

Patrizia Calaminici ◽

Roberto Mejia-Olvera

Keyword(s):

Transition Metals ◽

Basis Sets

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Electronic Electrostatic Potentials of Molecules, Local Hardness, Local Polarizability and Local Ionization Energy

Computing Letters ◽

10.1163/157404007782913174 ◽

2007 ◽

Vol 3 (2) ◽

pp. 373-385 ◽

Cited By ~ 4

Author(s):

Jin ◽

Murray ◽

Politzer

Keyword(s):

Ionization Energy ◽

Electrostatic Potentials ◽

Local Hardness

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Partial Least Squares Prediction of the Hyperpolarizabilities of Aniline Octamer Derivatives

Computing Letters ◽

10.1163/157404007782913228 ◽

2007 ◽

Vol 3 (2) ◽

pp. 267-276 ◽

Cited By ~ 4

Author(s):

M.B. da Costa ◽

B. Barros Neto ◽

A.E. de Machado

Keyword(s):

Least Squares ◽

Partial Least Squares

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Role of Dipolar Interactions in Fine-Tuning the Linear and Nonlinear Optical Responses in Porphyrins

Computing Letters ◽

10.1163/157404007782913147 ◽

2007 ◽

Vol 3 (2) ◽

pp. 367-372 ◽

Cited By ~ 2

Author(s):

Shrinwantu Pal ◽

Ayan Datta ◽

Swapan Pati

Keyword(s):

Nonlinear Optical ◽

Fine Tuning ◽

Dipolar Interactions ◽

Optical Responses ◽

Linear And Nonlinear

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Analytical Dipole Moments and Dipole Polarizabilities of Oxygen Mono-Fluoride and Nitrogen Dioxide: A Constrained Variational Response to Fock-Space Multi-Reference Coupled-Cluster Method

Computing Letters ◽

10.1163/157404007782913381 ◽

2007 ◽

Vol 3 (2) ◽

pp. 351-358 ◽

Cited By ~ 7

Author(s):

Arijit Bag ◽

Sourav Pal ◽

Prashant Uday Manohar

Keyword(s):

Nitrogen Dioxide ◽

Fock Space ◽

Dipole Moments ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Dipole Polarizabilities

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Computing Letters
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H-INDEX

Published By Brill

Electric and Magnetic Properties of Atoms and Molecules: A special issue in honour of Professor A.D.Buckingham

Theoretical Evaluation of the Faraday Effect in Organic Compounds

Removing extra frontier parameters in QM/MM methods : a tentative with the Local Self-Consistent Field approach

Real Time Dynamics of Hole Propagation in Strongly Correlated Conjugated Molecular Chains: A time-dependent DMRG Study

Homogenoues Solvent Models for Linear and Nonlinear Optical Properties

DFT Optimized All-Electron Basis Sets for Gradient Corrected Functionals: 4d Transition Metals

Electronic Electrostatic Potentials of Molecules, Local Hardness, Local Polarizability and Local Ionization Energy

Partial Least Squares Prediction of the Hyperpolarizabilities of Aniline Octamer Derivatives

Role of Dipolar Interactions in Fine-Tuning the Linear and Nonlinear Optical Responses in Porphyrins

Analytical Dipole Moments and Dipole Polarizabilities of Oxygen Mono-Fluoride and Nitrogen Dioxide: A Constrained Variational Response to Fock-Space Multi-Reference Coupled-Cluster Method

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Computing LettersLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Brill

Electric and Magnetic Properties of Atoms and Molecules: A special issue in honour of Professor A.D.Buckingham

Theoretical Evaluation of the Faraday Effect in Organic Compounds

Removing extra frontier parameters in QM/MM methods : a tentative with the Local Self-Consistent Field approach

Real Time Dynamics of Hole Propagation in Strongly Correlated Conjugated Molecular Chains: A time-dependent DMRG Study

Homogenoues Solvent Models for Linear and Nonlinear Optical Properties

DFT Optimized All-Electron Basis Sets for Gradient Corrected Functionals: 4d Transition Metals

Electronic Electrostatic Potentials of Molecules, Local Hardness, Local Polarizability and Local Ionization Energy

Partial Least Squares Prediction of the Hyperpolarizabilities of Aniline Octamer Derivatives

Role of Dipolar Interactions in Fine-Tuning the Linear and Nonlinear Optical Responses in Porphyrins

Analytical Dipole Moments and Dipole Polarizabilities of Oxygen Mono-Fluoride and Nitrogen Dioxide: A Constrained Variational Response to Fock-Space Multi-Reference Coupled-Cluster Method

Computing Letters
Latest Publications