SEARCH Articles Figures Tables Adiabatic electron wave function Adiabatic electronic wave functions An Introduction to the Electron Localization Function Antisymmetric many-electron wave function Antisymmetrized wave function, electronic Antisymmetrized wave function, electronic structure calculations Applications, molecular electronics functional materials Approximations to the Many-Electron Wave Function Aromaticity electron localization function Atomic Many-Electron Wave Function and -Coupling Basis Sets for Electronic Wave Functions Basis-Set Expansions of Relativistic Electronic Wave Functions Benzene, charge density- functions electronic states Benzenes electronic localization function Biomolecules-nanoparticle systems electronic functions Calculation of molecular electronic wave functions and energies Catalytic activity electron work function Conducting polymers electronic wave functions Correlation function electronic Coupled-cluster wave functions, derivatives electronic energy Definition of Electronic Charges from the Wave Function Density functional theory electron affinities Density functional theory electron correlation procedures Density functional theory electron transfer Density functional theory electronic chemical potential Density functional theory electronic circular dichroism Density functional theory electronic structure calculations Density functional theory electronic structure methods Density functional theory electrons Density functional theory intermolecular interactions, electron Density functional theory many-electron system energy Density functional theory-electron spin resonance calculations Density functionals electronic excitation energy Density-functional theory electronic problem Determinantal wave function, electron nuclear Diabatic electron wave function Diatomic molecules electronic partition functions Electron Density and Hole Functions Electron Pair Functions Electron Paramagnetic Resonance (EPR) Characterization of Heterogeneously Functionalized Dendrimers Electron Work Function of the Elements Electron affinities functions Electron affinity, relation work function Electron configurations orbital wave functions Electron correlation method Density-functional theory Mpller-Plesset Electron correlation method, Density-functional theory Electron densities wave function properties Electron density Wigner correlation energy functional Electron density function Electron density function, full Electron density functionals Electron density, distribution function Electron distribution function Electron distribution function for Electron energy distribution function Electron energy distribution function EEDF) Electron energy distribution function for Electron free energy function Electron locahzation function Electron locahzation function molecules Electron localisation function Electron localization function Electron localization function (ELF Electron localization function , local Electron localization function , local nuclear motion Electron localization function analysis Electron localization function analysis substituent Electron localization function bifurcation analysis Electron localization function density construction Electron localization function isosurfaces Electron localization function kinetic energy density Electron localization function partition Electron localization function partition based Electron localization function topological analysis Electron nuclear dynamics , molecular function Electron pair localization function Electron probability density function Electron radial distribution function Electron repulsion functional Electron spectral function Electron transfer distribution functions Electron transfer rate constants, function Electron transfer rate constants, function free-energy change Electron transmission function Electron velocity distribution, function Electron wave function Electron wave functions for two Electron work function Electron work function and Electron work function, equation Electron-correlated calculations, nuclear density functional theory Electron-density difference function Electron-positron overlap function Electron-spin spectral density functions Electronic Hamiltonian function Electronic Indices from Greens Functions Electronic Motion Density Functional Theory (DFT) Electronic Office Functions Management Electronic States in Solids-The Fermi Distribution Function Electronic Structure Calculations Via Density Functional Theory Electronic Structure of Naked, Ligated and Supported Transition Metal Clusters from First Principles Density Functional Calculations Electronic Structure. Potential Energy Functions Electronic Work Function and Related Values in Electrochemical Kinetics Electronic absorption spectroscopy wave functions Electronic and Nuclear Partition Functions Electronic coupling, between donor and acceptor wave functions Electronic density Fukui function Electronic density function Electronic density functions first order Electronic density response function Electronic distribution electron localization function Electronic effects of functional groups Electronic encapsulants, function Electronic energy coupled-cluster waves functions Electronic energy levels partition function Electronic energy wave functions Electronic excited states basis functions Electronic function Electronic localization function Electronic localization function nodal planes Electronic options basic functions Electronic states density functional method Electronic states time-dependent wave functions Electronic structure Green-function methods Electronic structure calculations with Gaussian basis functions Electronic structure computations density functional tight-binding Electronic structure density-functional theory Electronic structure methods B3LYP functional Electronic structure methods exchange-correlation functional Electronic structure methods periodic density functional theory Electronic structure wave function description Electronic structure wave-function calculations Electronic wave function Electronic wave function angular Electronic wave function anthracene Electronic wave function butadiene Electronic wave function determination Electronic wave function ethylene Electronic wave function for molecule Electronic wave function for the Electronic wave function for the H2 molecule Electronic wave function fundamental property Electronic wave function many-electron atoms Electronic wave function radial Electronic wave function symmetry properties Electronic wave function transferring electron Electronic wave function, permutational Electronic wave function, permutational symmetry Electronic wave functions Electron-repulsion potentials Electronic wave functions electrostatic energy Electronic wave functions electrostatic interactions Electronic wave functions of homonuclear diatomic molecules Electronic wave functions transitions Electronic wave functions, stationary Electronic wavefunction and probability density function Electronic work function Electronically Conducting Polymers with Built-In or Pendant Redox Functionalities Electronically functional inorganic Electrons Lindhard dielectric function Electrons dielectric function Electrons envelope function Electrons radial electron density function Electrons, locations/functions Electrophiles electron-rich functionalities Electrostatic potential, molecular interactive electronic density function Energy Resolution and Response Function of Electron Detectors Equivalence of the electronic wave function and electron density Ethane electron localization function Fermions electronic wave functions Force constants from electronic wave functions Fukui function electron density Fukui function electronic Function electron microscopy Function electron-group Functional Additives for Polymer Electronics Functional Electronic Materials Functional groups electron-withdrawing effects Functional groups electronic effects Functional groups electronic properties Functional groups inductive electron-donating Functional groups inductive electron-withdrawing Functional safety of electrical/electronic Functionalities of Non-Bonding Electrons Size Emergence Functionals of the electronic density Gauge-including atomic orbital density functional theory, electron Gaussian basis functions electron correlation effects Gaussian basis functions many-electron molecules Gaussian functions, electronic structure Gaussian functions, electronic structure calculation Generation of Many Electron Spin Functions Geometric phase effect electronic wave function Gradient corrected density functional theory electronic structure Ground-state electronic wave function Ground-state wave function electronic Hamiltonian, spin-orbit Group , electron functional Hartree-Fock wave functions multiple electronic states Highly Conductive Plastics - Custom-formulated Functional Materials for Injection Mouldable Electronic Applications Homonuclear diatomic molecules electronic wave functions Homonuclear molecules, permutational electronic wave function Hybrid electron functions Hydrogen bonding electron localization function Hyperpolarizabilities electron-correlated functions Imaging functional electron transfer Independent-electron models density functional theory Independent-electron models orbital functional theory Irradiation, electron energy distribution function under Irreducible representations electronic wave function Jellium Surfaces Electron Spillout, Surface Dipole, and Work Function Many-electron atoms wave function Many-electron atoms, radial wave functions Many-electron basis functions Many-electron functions Many-electron molecular wave functions Many-electron wave functions Slater determinants Many-electron wave functions atomic orbitals approximation Many-electron wave functions the Hartree-Fock equation Many-electron wave functions, electronic structure Many-electron wave functions, electronic structure calculations Maxwellian electron energy distribution function Metabolic functions electron transferring flavoproteins Molecular function electron transfer, Marcus theory Molecular one-electron functions Molecular orbitals , nuclear magnetic density functional theory, electron Molecular partition functions electronic Molecules electronic partition functions Monolayer- and Multilayer-enzyme Assemblies Functionalized with Electron-transfer Mediators Multi-determinant wave functions electron correlation methods Multiconfigurational wave function electron correlation N-electron wave function Nonlinear molecules electronic wave function Nuclear dynamics electronic wave function One-electron density function One-electron functions PEDOT layers with electronic functions Partition function electronic Point group symmetry electronic wave function Polarons electronic wave function Polymers with Electronic Functions Potassium atom, electron localization function Projected electron density function Proper functions 2 electrons) Quasi-degenerate electronic wave functions Radial distribution function electron diffraction Radial electron localization function Requirements on one-electron basis functions Semiempirical wave functions electronic states Separating q Nuclear and Electronic Partition Functions Shape function electron density Shape function electron density, variations Single electron function Single-electron wave functions Solvated electron electronic wave function Spatial function symmetry three-electron Structure-Function Correlations Electron Transfer Chain Symmetric properties electronic wave function Tensor Structure of the Many-Electron Hamiltonian and Wave Function The Electron Localization Function The Work Function for Electrons in Metals The electron pair distribution function The electronic partition function The pair function. Electron correlation Thouless determinantal wave function, electron Time-dependent density functional interacting electrons Time-dependent density functional theory electronic excitations Time-dependent electron localization function Topic 1.4. Representation of Electron Density by the Laplacian Function Transition dipole moment functions, electronic Two-electron density functional Two-electron integrals over basis functions Two-electron spin functions Ubiquinone, electron transfer function Valence electron wave function Vosko, Wilk and Nusair electron correlation functional Wave Function Electronic Structure Methods Wave Function for Many Electrons Wave Functions for Many-Electron Systems Wave function analysis electron density Wave function determination from electron density Wave function electron density from Wave function electron nuclear dynamics Wave function many-electron Wave function one-electron Wave function two electrons Wave function, electronic excited state Wave function, electronic total Wave function, electronic vibrational Wave functions, factoring into electronic Work Function and Electron Paramagnetic Resonance