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Sight is the dominant sense of mankind to apprehend the world at the earth scale and beyond the frontiers of the infinite, from the nanometer to the incommensurable. Primarily based on sunlight and natural and artificial light sources, optics has been the major companion of spectroscopy since scientific observation began. The invention of the laser in the early sixties has boosted optical spectroscopy through the intrinsic or specific symmetry electronic properties of materials at the multiscale (birefringence, nonlinear and photonic crystals), revealed by the ability to monitor light polarization inside or on the surface of designed objects. This Special Issue of Symmetry features articles and reviews that are of tremendous interest to scientists who study linear and nonlinear optics, all oriented around the common axis of symmetry. Contributions transverse the entire breadth of this field, including those concerning polarization and anisotropy within colloids of chromophores and metal/semiconducting nanoparticles probed by UV-visible and fluorescence spectroscopies; microscopic structures of liquid–liquid, liquid–gas, and liquid–solid interfaces; surface- and symmetry-specific optical techniques and simulations, including second-harmonic and sum-frequency generations, and surface-enhanced and coherent anti-Stokes Raman spectroscopies; orientation and chirality of bio-molecular interfaces; symmetry breaking in photochemistry; symmetric multipolar molecules; reversible electronic energy transfer within supramolecular systems; plasmonics; and light polarization effects in materials.

symmetry breaking --- chiral plasmonics --- non-linear optics --- plasmonic devices --- plasmonic sensing --- plasmonics --- LSPR scattering --- polarisation manipulation --- metamaterials --- Faraday effect (rotation) --- magneto-optic Kerr effect (MOKE) --- magnetoplasmonics --- molecular orientation --- spectral unmixing --- infrared absorption --- visible-infrared sum-frequency generation --- Raman scattering --- linear programming --- centrosymmetry --- spectroscopy --- selection rules --- infrared --- Raman --- sum-frequency generation --- interfaces --- molecules --- nanoparticles --- molecular aggregates --- second harmonic generation --- hyper rayleigh scattering --- second harmonic scattering --- light polarizatio --- quantum dots --- phenyl derivative --- UV–Visible spectroscopy --- sum-frequency generation spectroscopy --- dipole–dipole interaction --- polyoxometalates --- donor/acceptor substituents --- first hyperpolarizability --- (time-dependent) DFT --- n/a --- UV-Visible spectroscopy --- dipole-dipole interaction

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A collection of 18 scientific papers written in honor of Professor Karlheinz Schwarz's 80th birthday. The main topics include spectroscopy, excited states, DFT developments, results analysis, solid states, and surfaces.

Research & information: general --- Chemistry --- Physical chemistry --- density functional theory --- Coulomb systems --- excited states --- nodal variational principle --- DFT --- anatase TiO2(101) surface --- adsorption energy --- Bader charge --- helium atom --- screened Coulomb potential --- variational Monte Carlo method --- Lagrange mesh method --- comparison theorem --- TD-DFT --- MC-PDFT --- Lie–Clementi --- Colle–Salvetti --- OLEDs --- subphthalocyanines --- UV–visible spectra --- axial substituents --- peripheral substituents --- time-dependent DFT --- hexatetra-carbon --- electrical properties --- molecular aggregates --- singlet excitons --- triplet excitons --- TDDFT --- charge-transfer states --- charge-resonance states --- Frenkel states --- localized excitations --- diabatic states --- adiabatic states --- semiconductors --- oscillator strength --- hybrid exchange-correlation functional --- non-local potential --- statistics --- methods comparison --- benchmarking --- band gaps --- atomization energy --- DFT codes --- electronic structure calculation --- numerical accuracy and precision --- kinetic functional --- Yukawa potential --- periodic DFTB --- deMonNano --- graphene --- graphite --- benzene dimers --- deposited benzene --- supported clusters --- weighted mulliken charges --- LAPW method --- APW+lo method --- all-electron DFT --- density matrix functional embedding --- density-functional theory --- householder transformation --- He atomic basis sets --- helium dimer --- He2 potential well --- correlation energy --- complete basis set --- sigma basis set --- atomic multiplet theory --- crystal/ligand-field theory --- coordination compounds --- electronic structure --- Cu2OCl2 --- Cu2OBr2 --- Cu2OI2 --- oxyhalides --- magnetic couplings --- Néel temperature --- chemical pressure --- NMR --- machine learning --- zeolites --- n/a --- Lie-Clementi --- Colle-Salvetti --- UV-visible spectra --- Néel temperature

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

A collection of 18 scientific papers written in honor of Professor Karlheinz Schwarz's 80th birthday. The main topics include spectroscopy, excited states, DFT developments, results analysis, solid states, and surfaces.

Research & information: general --- Chemistry --- Physical chemistry --- density functional theory --- Coulomb systems --- excited states --- nodal variational principle --- DFT --- anatase TiO2(101) surface --- adsorption energy --- Bader charge --- helium atom --- screened Coulomb potential --- variational Monte Carlo method --- Lagrange mesh method --- comparison theorem --- TD-DFT --- MC-PDFT --- Lie-Clementi --- Colle-Salvetti --- OLEDs --- subphthalocyanines --- UV-visible spectra --- axial substituents --- peripheral substituents --- time-dependent DFT --- hexatetra-carbon --- electrical properties --- molecular aggregates --- singlet excitons --- triplet excitons --- TDDFT --- charge-transfer states --- charge-resonance states --- Frenkel states --- localized excitations --- diabatic states --- adiabatic states --- semiconductors --- oscillator strength --- hybrid exchange-correlation functional --- non-local potential --- statistics --- methods comparison --- benchmarking --- band gaps --- atomization energy --- DFT codes --- electronic structure calculation --- numerical accuracy and precision --- kinetic functional --- Yukawa potential --- periodic DFTB --- deMonNano --- graphene --- graphite --- benzene dimers --- deposited benzene --- supported clusters --- weighted mulliken charges --- LAPW method --- APW+lo method --- all-electron DFT --- density matrix functional embedding --- density-functional theory --- householder transformation --- He atomic basis sets --- helium dimer --- He2 potential well --- correlation energy --- complete basis set --- sigma basis set --- atomic multiplet theory --- crystal/ligand-field theory --- coordination compounds --- electronic structure --- Cu2OCl2 --- Cu2OBr2 --- Cu2OI2 --- oxyhalides --- magnetic couplings --- Néel temperature --- chemical pressure --- NMR --- machine learning --- zeolites