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

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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Chermette, Henry
Year of Publication:2022
Language:English
Physical Description:1 electronic resource (264 p.)
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id 993560433904498
ctrlnum (CKB)5680000000080859
(oapen)https://directory.doabooks.org/handle/20.500.12854/92123
(EXLCZ)995680000000080859
collection bib_alma
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spelling Chermette, Henry edt
Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
Basel MDPI Books 2022
1 electronic resource (264 p.)
text txt rdacontent
computer c rdamedia
online resource cr rdacarrier
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.
English
Research & information: general bicssc
Chemistry bicssc
Physical chemistry bicssc
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
3-0365-4973-0
3-0365-4974-9
Chermette, Henry oth
language English
format eBook
author2 Chermette, Henry
author_facet Chermette, Henry
author2_variant h c hc
author2_role Sonstige
title Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
spellingShingle Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
title_full Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
title_fullStr Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
title_full_unstemmed Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
title_auth Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
title_new Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
title_sort commemorative issue in honor of professor karlheinz schwarz on the occasion of his 80th birthday
publisher MDPI Books
publishDate 2022
physical 1 electronic resource (264 p.)
isbn 3-0365-4973-0
3-0365-4974-9
illustrated Not Illustrated
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carrierType_str_mv cr
is_hierarchy_title Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
author2_original_writing_str_mv noLinkedField
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