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Topic · Nonlinear Optical Materials Research

Most cited papers in Nonlinear Optical Materials Research

Nonlinear Optical Materials Research

What are the most cited papers in Nonlinear Optical Materials Research?

The most cited paper in Nonlinear Optical Materials Research is "Linear methods in band theory" (OK Andersen, 1975), with 6,557 citations. Next come "Maximally localized generalized Wannier functions for composite energy bands" (4,867) and "Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis" (4,853).

Showing 50 of 99 papers. Every paper with more than 497 citations is listed.

Most cited papers, sortable by citations and release date
#Paper
1 Linear methods in band theory OK Andersen · Physical review. B, Solid state Open access 15 Oct 1975 6,557
2 Maximally localized generalized Wannier functions for composite energy bands Nicola Marzari, David Vanderbilt · Physical review. B, Condensed matter Open access 15 Nov 1997 4,867
3 Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis Curt M. Breneman, Kenneth B. Wiberg · Journal of Computational Chemistry Apr 1990 4,853
4 Interactions between Light Waves in a Nonlinear Dielectric John A. Armstrong, N. Bloembergen, Jacques Ducuing et al. · Physical Review Open access 15 Sep 1962 4,320
5 Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges Johann Gasteiger, Mario Marsili · Tetrahedron 1980 4,169
6 A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach Björn Olof Roos, Peter R. Taylor, Per E.M. Sigbahn · Chemical Physics May 1980 4,040
7 Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction Per‐Olov Löwdin · Physical Review 15 Mar 1955 3,602
8 Minuit - a system for function minimization and analysis of the parameter errors and correlations Frederick E. James, Matts Roos · Computer Physics Communications Dec 1975 3,291
9 The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level J. Tomasi, Benedetta Mennucci, Éric Cancès · Journal of Molecular Structure THEOCHEM May 1999 2,624
10 Natural localized molecular orbitals Alan E. Reed, Frank Weinhold · The Journal of Chemical Physics 15 Aug 1985 2,217
11 A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation Kazuo Kitaura, Keiji Morokuma · International Journal of Quantum Chemistry Mar 1976 2,172
12 Multiphoton Absorbing Materials: Molecular Designs, Characterizations, and Applications Guang S. He, Loon‐Seng Tan, Qingdong Zheng et al. · Chemical Reviews Review 25 Mar 2008 2,159
13 A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives Stefan Dapprich, István S. Komáromi, K. Suzie Byun et al. · Journal of Molecular Structure THEOCHEM Apr 1999 2,089
14 A fast intrinsic localization procedure applicable for a b i n i t i o and semiempirical linear combination of atomic orbital wave functions Jānos Pipek, Paul G. Mezey · The Journal of Chemical Physics May 1989 1,840
15 New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+G(d,p) Martin Andersson, P. Uvdal · The Journal of Physical Chemistry A Mar 2005 1,658
16 Halogen bonding and other σ-hole interactions: a perspective Peter A. Politzer, Jane S. Murray, Timothy Clark · Physical Chemistry Chemical Physics 2013 1,655
17 Exploring Nature and Predicting Strength of Hydrogen Bonds: A Correlation Analysis Between Atoms‐in‐Molecules Descriptors, Binding Energies, and Energy Components of Symmetry‐Adapted Perturbation Theory Saeedreza Emamian, Tian Lu, Holger Kruse et al. · Journal of Computational Chemistry 13 Sep 2019 1,630
18 Localized Atomic and Molecular Orbitals Clyde Kay Edmiston, Klaus Ruedenberg · Reviews of Modern Physics Jul 1963 1,583
19 Normal mode determination in crystals Denis L. Rousseau, Robert P. Bauman, Sergio P. S. Porto · Journal of Raman Spectroscopy 1981 1,346
20 Nonlinear Optics of Organic Molecules and Polymers Hari Singh Nalwa · Optical Engineering Sep 1997 1,292
21 Linear and Nonlinear Optical Properties of Photochromic Molecules and Materials Jacques Alexis Delaire, Keitaro Nakatani · Chemical Reviews Review 10 Mar 2000 1,212
22 Large optical nonlinearity of indium tin oxide in its epsilon-near-zero region M. Zahirul Alam, Israel De Leon, Robert W. Boyd · Science 29 Apr 2016 1,148
23 Linear and nonlinear response functions for an exact state and for an MCSCF state Jeppe Olsen, Poul Jo rgensen · The Journal of Chemical Physics Apr 1985 1,136
24 Optical properties and applications of chalcogenide glasses: a review A. Zakery, Stephen R. Elliott · Journal of Non-Crystalline Solids 11 Oct 2003 1,131
25 Structure of the Amide I Band of Peptides Measured by Femtosecond Nonlinear-Infrared Spectroscopy Peter M. Hamm, Manho Lim, Robin M. Hochstrasser · The Journal of Physical Chemistry B 11 Jun 1998 1,106
26 Borates: A Rich Source for Optical Materials Miriding Mutailipu, Kenneth Reinhard Poeppelmeier, Shilie Pan · Chemical Reviews Review 14 Dec 2020 1,092
27 Origin of Attraction and Directionality of the π/π Interaction: Model Chemistry Calculations of Benzene Dimer Interaction Seiji Tsuzuki, Kazumasa Honda, Tadafumi Uchimaru et al. · Journal of the American Chemical Society 4 Dec 2001 1,074
28 Dispersion of bound electron nonlinear refraction in solids Mansoor Sheik‐Bahae, David C. Hutchings, David J. Hagan et al. · IEEE Journal of Quantum Electronics Open access Jun 1991 1,068
29 Design and synthesis of chromophores and polymers for electro-optic and photorefractive applications Seth R. Marder, Bernard J. Kippelen, Alex K.‐Y. Jen et al. · Nature Open access 28 Aug 1997 1,065
30 Medium-size polarized basis sets for high-level correlated calculations of molecular electric properties Andrzej J. Sadlej · Collection of Czechoslovak Chemical Communications 1988 1,052
31 Electric Field Poled Organic Electro-optic Materials: State of the Art and Future Prospects Larry R. Dalton, Philip A. Sullivan, Denise H. Bale · Chemical Reviews Review 22 Oct 2009 1,019
32 Hyper-Rayleigh scattering in solution Koen Clays, Andre P. Persoons · Physical Review Letters 10 Jun 1991 1,016
33 Rational Synthesis of Noncentrosymmetric Metal–Organic Frameworks for Second-Order Nonlinear Optics Cheng Wang, Teng Zhang, Wenbin Lin · Chemical Reviews Review 9 Nov 2011 1,009
34 Nonlinear Optical Materials David F. Eaton · Science 19 Jul 1991 989
35 Organic Polymeric and Non‐Polymeric Materials with Large Optical Nonlinearities David J. Williams · Angewandte Chemie International Edition in English Sep 1984 953
36 Nonlinear Optical Materials for the Smart Filtering of Optical Radiation Danilo Cesar Dini, Mário J. F. Calvete, Michael Hanack · Chemical Reviews Review 10 Nov 2016 944
37 Electronic Population Analysis on LCAO-MO Molecular Wave Functions. IV. Bonding and Antibonding in LCAO and Valence-Bond Theories Robert S. Mulliken · The Journal of Chemical Physics Dec 1955 929
38 Low (Sub-1-Volt) Halfwave Voltage Polymeric Electro-optic Modulators Achieved by Controlling Chromophore Shape Yongqiang Shi, Cheng H. Zhang, Hua Zhang et al. · Science 7 Apr 2000 918
39 Electric Field Modulated Nonlinear Optical Properties of Donor-Acceptor Polyenes: Sum-Over-States Investigation of the Relationship between Molecular Polarizabilities (.alpha., .beta., and .gamma.) and Bond Length Alternation Fabienne M. Meyers, Seth R. Marder, Brian M. Pierce et al. · Journal of the American Chemical Society Nov 1994 879
40 Nonlinear Optical Properties of Porphyrins Mathias O. Senge, Marijana Fazekas, E.G.A. Notaras et al. · Advanced Materials 6 Sep 2007 856
41 Structure−Property Relationships for Two-Photon Absorbing Chromophores: Bis-Donor Diphenylpolyene and Bis(styryl)benzene Derivatives Mariacristina Rumi, Jeffrey E. Ehrlich, Ahmed A. Heikal et al. · Journal of the American Chemical Society 13 Sep 2000 854
42 Antioxidant activity of curcumin and related compounds O. P. Sharma · Biochemical Pharmacology Aug 1976 853
43 Molecular Spectroscopy by Means of ESCA II. Sulfur compounds. Correlation of electron binding energy with structure B.J. Lindberg, K. Hamrin, Gunilla Johansson et al. · Physica Scripta Open access May 1970 852
44 Calculation of the nonlinear optical properties of molecules Henry A. Kurtz, James J. P. Stewart, Kenneth M. Dieter · Journal of Computational Chemistry 1990 843
45 Above-room-temperature ferroelectricity in a single-component molecular crystal Sachio Horiuchi, Y. Tokunaga, Gianluca Giovannetti et al. · Nature 9 Feb 2010 792
46 Fundamental aspects of property tuning in push–pull molecules Filip Bureš · RSC Advances Open access 22 Oct 2014 783
47 On the Nonorthogonality Problem Per‐Olov Löwdin · Advances in quantum chemistry Book chapter 1970 782
48 Size and Shape Dependent Second Order Nonlinear Optical Properties of Nanomaterials and Their Application in Biological and Chemical Sensing Paresh Chandra Ray · Chemical Reviews ReviewOpen access 14 May 2010 773
49 Simple reflection technique for measuring the electro-optic coefficient of poled polymers C. C. Teng, H. T. Man · Applied Physics Letters 30 Apr 1990 760
50 Approaches for Optimizing the First Electronic Hyperpolarizability of Conjugated Organic Molecules Seth R. Marder, David N. Beratan, Lu Cheng · Science 5 Apr 1991 752

Citations are OpenAlex's own counts, from its 2026-09-23 snapshot, so the ranking can differ from Google Scholar or Web of Science. A paper is listed for a field when OpenAlex files it under one of the field's topics; retracted papers and papers whose citation count cannot be traced to citing works are left out, and a preprint and the article it became are shown once. Release dates are OpenAlex's: where a source gave only a month or a year, that is what is shown. How the lists are chosen.