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Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday

Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday

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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.

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Keywords

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

Links

DOI: 10.3390/books978-3-0365-4973-6

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